N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide

C20H20N4O2 — CID 67239104

IUPACN-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C20H20N4O2/c25-20(18-10-12-24(23-18)17-4-2-1-3-5-17)22-16-8-6-15(7-9-16)19-14-21-11-13-26-19/h1-10,12,19,21H,11,13-14H2,(H,22,25)
InChIKeyHGERVBWCKKJBMC-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.79
Rot. Bonds4

About N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide

N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 67239104) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide
PubChem CID67239104
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C20H20N4O2/c25-20(18-10-12-24(23-18)17-4-2-1-3-5-17)22-16-8-6-15(7-9-16)19-14-21-11-13-26-19/h1-10,12,19,21H,11,13-14H2,(H,22,25)
InChIKeyHGERVBWCKKJBMC-UHFFFAOYSA-N
XLogP2.79
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ralmitaront
CID 130429734
4-[(2-Ethyl-2H-pyrazole-3-carbonyl)-amino]-benzoic acid isopropyl ester
CID 841888
1-(3-(aminomethyl)phenyl)-N-(4-((cyclopropylmethoxy)(phenyl)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355605
1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087333
N-[4-[(2R)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxamide
CID 71087441
1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087663
N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71112658
5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide
CID 73425668
5-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide
CID 73425670
N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide
CID 73425671
2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73425774
N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 73425775

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide (CID 67239104) is N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is HGERVBWCKKJBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(18-10-12-24(23-18)17-4-2-1-3-5-17)22-16-8-6-15(7-9-16)19-14-21-11-13-26-19/h1-10,12,19,21H,11,13-14H2,(H,22,25).
What are the key properties of N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide?
N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 67239104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).