1-(3,4-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazol-3-amine;1-(3,4-dichlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)pyrazol-3-amine;N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-morpholin-4-ylacetamide

C49H60Cl6N12O3 — CID 87708538

IUPAC1-(3,4-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazol-3-amine;1-(3,4-dichlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)pyrazol-3-amine;N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-morpholin-4-ylacetamide
SMILESCc1cc(NC(=O)CN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1.Cc1cc(NCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1.Cc1cc(NCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H22Cl2N4.C16H18Cl2N4O2.C16H20Cl2N4O/c1-13-11-17(20-7-10-22-8-3-2-4-9-22)21-23(13)14-5-6-15(18)16(19)12-14;1-11-8-15(19-16(23)10-21-4-6-24-7-5-21)20-22(11)12-2-3-13(17)14(18)9-12;1-12-10-16(19-4-5-21-6-8-23-9-7-21)20-22(12)13-2-3-14(17)15(18)11-13/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,21);2-3,8-9H,4-7,10H2,1H3,(H,19,20,23);2-3,10-11H,4-9H2,1H3,(H,19,20)
InChIKeyAAFJHDDNSKFGTQ-UHFFFAOYSA-N
MW1077.82 g/mol
LogP10.38
Rot. Bonds14

About 1-(3,4-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazol-3-amine;1-(3,4-dichlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)pyrazol-3-amine;N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-morpholin-4-ylacetamide

1-(3,4-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazol-3-amine;1-(3,4-dichlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)pyrazol-3-amine;N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-morpholin-4-ylacetamide (PubChem CID 87708538) has the molecular formula C49H60Cl6N12O3 and a molecular weight of 1077.82 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazol-3-amine;1-(3,4-dichlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)pyrazol-3-amine;N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazol-3-amine;1-(3,4-dichlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)pyrazol-3-amine;N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-morpholin-4-ylacetamide
PubChem CID87708538
Molecular FormulaC49H60Cl6N12O3
Molecular Weight1077.82 g/mol
Exact Mass1074.30
IUPAC Name1-(3,4-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazol-3-amine;1-(3,4-dichlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)pyrazol-3-amine;N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-morpholin-4-ylacetamide
SMILESCc1cc(NC(=O)CN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1.Cc1cc(NCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1.Cc1cc(NCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H22Cl2N4.C16H18Cl2N4O2.C16H20Cl2N4O/c1-13-11-17(20-7-10-22-8-3-2-4-9-22)21-23(13)14-5-6-15(18)16(19)12-14;1-11-8-15(19-16(23)10-21-4-6-24-7-5-21)20-22(11)12-2-3-13(17)14(18)9-12;1-12-10-16(19-4-5-21-6-8-23-9-7-21)20-22(12)13-2-3-14(17)15(18)11-13/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,21);2-3,8-9H,4-7,10H2,1H3,(H,19,20,23);2-3,10-11H,4-9H2,1H3,(H,19,20)
InChIKeyAAFJHDDNSKFGTQ-UHFFFAOYSA-N
XLogP10.38
TPSA134.80 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001077.82
LogP ≤ 510.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 1-(3,4-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazol-3-amine;1-(3,4-dichlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)pyrazol-3-amine;N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-morpholin-4-ylacetamide with MolForge

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Related Compounds

4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine
CID 54673475
4-[2-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]ethoxy]ethyl]morpholine
CID 54673778
N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 46107900
N-(4-acetamidophenyl)-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366426
1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 3546360
N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide
CID 155391873
1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride
CID 67203920
2-[[4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 1060997
N-(3,4-dichlorophenyl)-4-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109207703
N-(3-acetamidophenyl)-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366425
N-(3,4-dichlorophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 78835221
N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide
CID 62987910

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazol-3-amine;1-(3,4-dichlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)pyrazol-3-amine;N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazol-3-amine;1-(3,4-dichlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)pyrazol-3-amine;N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-morpholin-4-ylacetamide (CID 87708538) is 1-(3,4-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazol-3-amine;1-(3,4-dichlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)pyrazol-3-amine;N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazol-3-amine;1-(3,4-dichlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)pyrazol-3-amine;N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazol-3-amine;1-(3,4-dichlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)pyrazol-3-amine;N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-morpholin-4-ylacetamide is Cc1cc(NC(=O)CN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1.Cc1cc(NCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1.Cc1cc(NCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazol-3-amine;1-(3,4-dichlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)pyrazol-3-amine;N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-morpholin-4-ylacetamide?
The InChIKey is AAFJHDDNSKFGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N4.C16H18Cl2N4O2.C16H20Cl2N4O/c1-13-11-17(20-7-10-22-8-3-2-4-9-22)21-23(13)14-5-6-15(18)16(19)12-14;1-11-8-15(19-16(23)10-21-4-6-24-7-5-21)20-22(11)12-2-3-13(17)14(18)9-12;1-12-10-16(19-4-5-21-6-8-23-9-7-21)20-22(12)13-2-3-14(17)15(18)11-13/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,21);2-3,8-9H,4-7,10H2,1H3,(H,19,20,23);2-3,10-11H,4-9H2,1H3,(H,19,20).
What are the key properties of 1-(3,4-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazol-3-amine;1-(3,4-dichlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)pyrazol-3-amine;N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-morpholin-4-ylacetamide?
1-(3,4-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazol-3-amine;1-(3,4-dichlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)pyrazol-3-amine;N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-morpholin-4-ylacetamide has a molecular weight of 1077.82 g/mol, XLogP of 10.38, 14 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazol-3-amine;1-(3,4-dichlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)pyrazol-3-amine;N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 87708538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).