1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide

C21H19N5O2 — CID 71087915

IUPAC1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
SMILESN#Cc1ccc(-n2ccc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n2)cc1
InChIInChI=1S/C21H19N5O2/c22-13-15-1-7-18(8-2-15)26-11-9-19(25-26)21(27)24-17-5-3-16(4-6-17)20-14-23-10-12-28-20/h1-9,11,20,23H,10,12,14H2,(H,24,27)/t20-/m1/s1
InChIKeyAQQSPVUKZPSXRJ-HXUWFJFHSA-N
MW373.42 g/mol
LogP2.66
Rot. Bonds4

About 1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide

1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide (PubChem CID 71087915) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
PubChem CID71087915
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
SMILESN#Cc1ccc(-n2ccc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n2)cc1
InChIInChI=1S/C21H19N5O2/c22-13-15-1-7-18(8-2-15)26-11-9-19(25-26)21(27)24-17-5-3-16(4-6-17)20-14-23-10-12-28-20/h1-9,11,20,23H,10,12,14H2,(H,24,27)/t20-/m1/s1
InChIKeyAQQSPVUKZPSXRJ-HXUWFJFHSA-N
XLogP2.66
TPSA91.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087883
1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087671
1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 71087672
1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 89262472
1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 175893602
1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087810
N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride
CID 71087819
N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71086815
N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 71087444
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 71087452
2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide
CID 90047217
2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 90047249

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide (CID 71087915) is 1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide is N#Cc1ccc(-n2ccc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
The InChIKey is AQQSPVUKZPSXRJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H19N5O2/c22-13-15-1-7-18(8-2-15)26-11-9-19(25-26)21(27)24-17-5-3-16(4-6-17)20-14-23-10-12-28-20/h1-9,11,20,23H,10,12,14H2,(H,24,27)/t20-/m1/s1.
What are the key properties of 1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 71087915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).