1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanone;2-chloro-N-(4-chlorophenyl)-6-methylpyrimidin-4-amine;1-(1H-pyrazol-5-yl)ethanone

C48H45Cl4N15O3 — CID 161401710

IUPAC1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanone;2-chloro-N-(4-chlorophenyl)-6-methylpyrimidin-4-amine;1-(1H-pyrazol-5-yl)ethanone
SMILESCC(=O)c1ccn(-c2nc(C)cc(Nc3ccc(Cl)cc3)n2)n1.CC(=O)c1ccn[nH]1.Cc1cc(Nc2ccc(Cl)cc2)nc(-n2ccc(C(C)O)n2)n1.Cc1cc(Nc2ccc(Cl)cc2)nc(Cl)n1
InChIInChI=1S/C16H16ClN5O.C16H14ClN5O.C11H9Cl2N3.C5H6N2O/c2*1-10-9-15(19-13-5-3-12(17)4-6-13)20-16(18-10)22-8-7-14(21-22)11(2)23;1-7-6-10(16-11(13)14-7)15-9-4-2-8(12)3-5-9;1-4(8)5-2-3-6-7-5/h3-9,11,23H,1-2H3,(H,18,19,20);3-9H,1-2H3,(H,18,19,20);2-6H,1H3,(H,14,15,16);2-3H,1H3,(H,6,7)
InChIKeyVUHYRHDFYQZCOE-UHFFFAOYSA-N
MW1021.80 g/mol
LogP11.44
Rot. Bonds11

About 1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanone;2-chloro-N-(4-chlorophenyl)-6-methylpyrimidin-4-amine;1-(1H-pyrazol-5-yl)ethanone

1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanone;2-chloro-N-(4-chlorophenyl)-6-methylpyrimidin-4-amine;1-(1H-pyrazol-5-yl)ethanone (PubChem CID 161401710) has the molecular formula C48H45Cl4N15O3 and a molecular weight of 1021.80 g/mol. Its IUPAC name is 1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanone;2-chloro-N-(4-chlorophenyl)-6-methylpyrimidin-4-amine;1-(1H-pyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanone;2-chloro-N-(4-chlorophenyl)-6-methylpyrimidin-4-amine;1-(1H-pyrazol-5-yl)ethanone
PubChem CID161401710
Molecular FormulaC48H45Cl4N15O3
Molecular Weight1021.80 g/mol
Exact Mass1019.26
IUPAC Name1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanone;2-chloro-N-(4-chlorophenyl)-6-methylpyrimidin-4-amine;1-(1H-pyrazol-5-yl)ethanone
SMILESCC(=O)c1ccn(-c2nc(C)cc(Nc3ccc(Cl)cc3)n2)n1.CC(=O)c1ccn[nH]1.Cc1cc(Nc2ccc(Cl)cc2)nc(-n2ccc(C(C)O)n2)n1.Cc1cc(Nc2ccc(Cl)cc2)nc(Cl)n1
InChIInChI=1S/C16H16ClN5O.C16H14ClN5O.C11H9Cl2N3.C5H6N2O/c2*1-10-9-15(19-13-5-3-12(17)4-6-13)20-16(18-10)22-8-7-14(21-22)11(2)23;1-7-6-10(16-11(13)14-7)15-9-4-2-8(12)3-5-9;1-4(8)5-2-3-6-7-5/h3-9,11,23H,1-2H3,(H,18,19,20);3-9H,1-2H3,(H,18,19,20);2-6H,1H3,(H,14,15,16);2-3H,1H3,(H,6,7)
InChIKeyVUHYRHDFYQZCOE-UHFFFAOYSA-N
XLogP11.44
TPSA232.12 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001021.80
LogP ≤ 511.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanone;2-chloro-N-(4-chlorophenyl)-6-methylpyrimidin-4-amine;1-(1H-pyrazol-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanone;1-(1H-pyrazol-5-yl)ethanone
CID 161893179
4-[2-(4-Chloroanilino)-6-[3-(difluoromethyl)pyrazol-1-yl]-4-pyridinyl]butan-2-one;4-[2-(4-chloroanilino)-6-[3-(hydroxymethyl)pyrazol-1-yl]-4-pyridinyl]butan-2-one;1-[6-(4-chloroanilino)-4-(3-oxobutyl)-2-pyridinyl]pyrazole-3-carbaldehyde
CID 157590710
2-chloro-N-(4-fluorophenyl)-6-methylpyrimidin-4-amine;2,4-dichloro-6-methylpyrimidine;ethyl 1-[4-(4-fluoroanilino)-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;4-fluoroaniline;2-[1-[4-(4-fluoroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-2-ol
CID 157630245
1-[1-[4-Chloro-6-(4-fluoroanilino)pyrimidin-2-yl]pyrazol-3-yl]ethanone;1-[1-(4,6-dichloropyrimidin-2-yl)pyrazol-3-yl]ethanone;4-fluoroaniline;1-[1-[4-(4-fluoroanilino)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-(4-fluoroanilino)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]pyrazol-3-yl]ethanone;2-oxa-6-azaspiro[3.3]heptane
CID 157966973
4-chloroaniline;1-[1-[4-(4-chloroanilino)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-(4-chloroanilino)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]pyrazol-3-yl]ethanone;1-[1-[4-chloro-6-(4-chloroanilino)pyrimidin-2-yl]pyrazol-3-yl]ethanone;4,6-dichloro-2-methylsulfonylpyrimidine;1-[1-(4,6-dichloropyrimidin-2-yl)pyrazol-3-yl]ethanone;2-oxa-6-azaspiro[3.3]heptane;1-(1H-pyrazol-5-yl)ethanone
CID 159049131
1-[1-[4-(4-Chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanone;2-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-2-ol
CID 159185117
1-[4-(4-Fluoroanilino)-6-methylpyrimidin-2-yl]pyrazole-3-carbaldehyde;1-[1-[4-(4-fluoroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol;[1-[4-(4-fluoroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]methanol
CID 159644590
4-chloroaniline;2-[1-[6-(4-chloroanilino)-4-methyl-2-pyridinyl]pyrazol-3-yl]propan-2-ol;2-[1-(6-chloro-4-methyl-2-pyridinyl)pyrazol-3-yl]propan-2-ol;2,6-dichloro-4-methylpyridine;ethyl 1-(6-chloro-4-methyl-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate
CID 159716986
1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazole-3-carbaldehyde;[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4-chlorophenyl)-2-[3-(difluoromethyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
CID 160093279
ethyl 1-[4-(4-fluoroanilino)-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate;[1-[4-(4-fluoroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]methanol;2-[3-(fluoromethyl)pyrazol-1-yl]-N-(4-fluorophenyl)-6-methylpyrimidin-4-amine
CID 160108065
3-amino-5-iminopent-3-en-2-one;2-chloro-N-(4-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine;4-(2,6-dichloropyrimidin-4-yl)morpholine;1-[1-[4-(4-fluoroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-(4-fluoroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]ethanone;N-(4-fluorophenyl)formamide;morpholine;2,4,6-trichloropyrimidine
CID 160192615
4-Chloroaniline;[1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;ethyl 1-[4-(4-chloroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-[4-chloro-6-(4-chloroanilino)pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)pyrazole-3-carboxylate;morpholine
CID 160911302

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanone;2-chloro-N-(4-chlorophenyl)-6-methylpyrimidin-4-amine;1-(1H-pyrazol-5-yl)ethanone?
The IUPAC name of 1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanone;2-chloro-N-(4-chlorophenyl)-6-methylpyrimidin-4-amine;1-(1H-pyrazol-5-yl)ethanone (CID 161401710) is 1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanone;2-chloro-N-(4-chlorophenyl)-6-methylpyrimidin-4-amine;1-(1H-pyrazol-5-yl)ethanone.
What is the SMILES notation for 1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanone;2-chloro-N-(4-chlorophenyl)-6-methylpyrimidin-4-amine;1-(1H-pyrazol-5-yl)ethanone?
The canonical SMILES for 1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanone;2-chloro-N-(4-chlorophenyl)-6-methylpyrimidin-4-amine;1-(1H-pyrazol-5-yl)ethanone is CC(=O)c1ccn(-c2nc(C)cc(Nc3ccc(Cl)cc3)n2)n1.CC(=O)c1ccn[nH]1.Cc1cc(Nc2ccc(Cl)cc2)nc(-n2ccc(C(C)O)n2)n1.Cc1cc(Nc2ccc(Cl)cc2)nc(Cl)n1.
What is the InChIKey of 1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanone;2-chloro-N-(4-chlorophenyl)-6-methylpyrimidin-4-amine;1-(1H-pyrazol-5-yl)ethanone?
The InChIKey is VUHYRHDFYQZCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O.C16H14ClN5O.C11H9Cl2N3.C5H6N2O/c2*1-10-9-15(19-13-5-3-12(17)4-6-13)20-16(18-10)22-8-7-14(21-22)11(2)23;1-7-6-10(16-11(13)14-7)15-9-4-2-8(12)3-5-9;1-4(8)5-2-3-6-7-5/h3-9,11,23H,1-2H3,(H,18,19,20);3-9H,1-2H3,(H,18,19,20);2-6H,1H3,(H,14,15,16);2-3H,1H3,(H,6,7).
What are the key properties of 1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanone;2-chloro-N-(4-chlorophenyl)-6-methylpyrimidin-4-amine;1-(1H-pyrazol-5-yl)ethanone?
1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanone;2-chloro-N-(4-chlorophenyl)-6-methylpyrimidin-4-amine;1-(1H-pyrazol-5-yl)ethanone has a molecular weight of 1021.80 g/mol, XLogP of 11.44, 11 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanol;1-[1-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]ethanone;2-chloro-N-(4-chlorophenyl)-6-methylpyrimidin-4-amine;1-(1H-pyrazol-5-yl)ethanone is sourced from PubChem (CID 161401710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).