3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide

C20H19ClN4O2 — CID 71087529

IUPAC3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C20H19ClN4O2/c21-15-5-1-13(2-6-15)17-11-18(25-24-17)20(26)23-16-7-3-14(4-8-16)19-12-22-9-10-27-19/h1-8,11,19,22H,9-10,12H2,(H,23,26)(H,24,25)
InChIKeySVYDLGJOTAHOIQ-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.64
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 71087529) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID71087529
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C20H19ClN4O2/c21-15-5-1-13(2-6-15)17-11-18(25-24-17)20(26)23-16-7-3-14(4-8-16)19-12-22-9-10-27-19/h1-8,11,19,22H,9-10,12H2,(H,23,26)(H,24,25)
InChIKeySVYDLGJOTAHOIQ-UHFFFAOYSA-N
XLogP3.64
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087692
3-(2-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087843
3-(3,4-dimethoxyphenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087677
3-(2-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087965
4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 159688298
4-chloro-2-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 130184022
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 129387150
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
3-(3-chlorophenyl)-N-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide
CID 123234379
1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide
CID 90047409
4-formyl-N-(4-morpholin-2-ylphenyl)benzamide
CID 86673956

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide (CID 71087529) is 3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is SVYDLGJOTAHOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-15-5-1-13(2-6-15)17-11-18(25-24-17)20(26)23-16-7-3-14(4-8-16)19-12-22-9-10-27-19/h1-8,11,19,22H,9-10,12H2,(H,23,26)(H,24,25).
What are the key properties of 3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71087529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).