1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide

C21H22N4O2 — CID 71087734

IUPAC1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1-c1ccccc1
InChIInChI=1S/C21H22N4O2/c1-25-19(15-5-3-2-4-6-15)13-18(24-25)21(26)23-17-9-7-16(8-10-17)20-14-22-11-12-27-20/h2-10,13,20,22H,11-12,14H2,1H3,(H,23,26)/t20-/m1/s1
InChIKeyYSQWLFOWWSJZFH-HXUWFJFHSA-N
MW362.43 g/mol
LogP3.00
Rot. Bonds4

About 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide

1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide (PubChem CID 71087734) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide
PubChem CID71087734
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1-c1ccccc1
InChIInChI=1S/C21H22N4O2/c1-25-19(15-5-3-2-4-6-15)13-18(24-25)21(26)23-17-9-7-16(8-10-17)20-14-22-11-12-27-20/h2-10,13,20,22H,11-12,14H2,1H3,(H,23,26)/t20-/m1/s1
InChIKeyYSQWLFOWWSJZFH-HXUWFJFHSA-N
XLogP3.00
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.00
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
N-(2-(4-((Benzyloxycarbonyl)amino)-1-piperidinyl)-ethyl)-1-isopropylindazole-3-carboxamide Oxalate
CID 11798310
1-(3-(aminomethyl)phenyl)-N-(4-((cyclopropylmethoxy)(phenyl)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355605
1-(3-(aminomethyl)phenyl)-N-(3-(phenyl(propoxy)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 126665753
1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087333
5-[3-(difluoromethoxy)phenyl]-2-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087925
6-fluoro-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1H-indazole-3-carboxamide
CID 71112268
6-fluoro-1H-indazole-3-carboxylic acid ((R)-2-fluoro-4-morpholin-2-yl-phenyl)-amide
CID 71112455
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide (CID 71087734) is 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide is Cn1nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1-c1ccccc1.
What is the InChIKey of 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide?
The InChIKey is YSQWLFOWWSJZFH-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-25-19(15-5-3-2-4-6-15)13-18(24-25)21(26)23-17-9-7-16(8-10-17)20-14-22-11-12-27-20/h2-10,13,20,22H,11-12,14H2,1H3,(H,23,26)/t20-/m1/s1.
What are the key properties of 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide?
1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 71087734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).