1-(3-chloro-4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine

C21H23ClN4O — CID 2434131

IUPAC1-(3-chloro-4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine
SMILESCc1ccc(-n2nc(CN3CCOCC3)c(-c3ccccc3)c2N)cc1Cl
InChIInChI=1S/C21H23ClN4O/c1-15-7-8-17(13-18(15)22)26-21(23)20(16-5-3-2-4-6-16)19(24-26)14-25-9-11-27-12-10-25/h2-8,13H,9-12,14,23H2,1H3
InChIKeyVBTXNLYSHFFBHR-UHFFFAOYSA-N
MW382.90 g/mol
LogP3.92
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine

1-(3-chloro-4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine (PubChem CID 2434131) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine
PubChem CID2434131
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine
SMILESCc1ccc(-n2nc(CN3CCOCC3)c(-c3ccccc3)c2N)cc1Cl
InChIInChI=1S/C21H23ClN4O/c1-15-7-8-17(13-18(15)22)26-21(23)20(16-5-3-2-4-6-16)19(24-26)14-25-9-11-27-12-10-25/h2-8,13H,9-12,14,23H2,1H3
InChIKeyVBTXNLYSHFFBHR-UHFFFAOYSA-N
XLogP3.92
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-(4-morpholinylmethyl)-4-phenyl-1H-pyrazol-5-amine
CID 2336530
3-(Morpholin-4-ylmethyl)-1,4-diphenylpyrazol-5-amine
CID 2322230
3-[(4-Benzylpiperazin-1-yl)methyl]-1-(4-chlorophenyl)-4-phenylpyrazol-5-amine
CID 2420381
1-(2,4-dimethylphenyl)-3-(4-morpholinylmethyl)-4-phenyl-1H-pyrazol-5-amine
CID 2391334
1-(2-methylphenyl)-3-(4-morpholinylmethyl)-4-phenyl-1H-pyrazol-5-amine
CID 2988524
1-(4-methylphenyl)-3-(4-morpholinylmethyl)-4-phenyl-1H-pyrazol-5-amine
CID 2988733
4-[3-(4-Chlorophenyl)-1-phenylpyrazol-5-yl]morpholine
CID 57332354
4-[1-(4-Chlorophenyl)-3-phenylpyrazol-5-yl]morpholine
CID 135065252
1-(4-Fluorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-4-phenylpyrazol-5-amine
CID 2336529
1-(3-Chloro-4-methylphenyl)-3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenylpyrazol-5-amine
CID 2420362
1-(3-Chloro-4-methylphenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrazol-5-amine
CID 2420363
1-(2,4-difluorophenyl)-3-(4-morpholinylmethyl)-4-phenyl-1H-pyrazol-5-amine
CID 2985658

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine (CID 2434131) is 1-(3-chloro-4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine is Cc1ccc(-n2nc(CN3CCOCC3)c(-c3ccccc3)c2N)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine?
The InChIKey is VBTXNLYSHFFBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-15-7-8-17(13-18(15)22)26-21(23)20(16-5-3-2-4-6-16)19(24-26)14-25-9-11-27-12-10-25/h2-8,13H,9-12,14,23H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine?
1-(3-chloro-4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine has a molecular weight of 382.90 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-5-amine is sourced from PubChem (CID 2434131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).