N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide

C19H21ClN4O — CID 7249045

IUPACN-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cc(-c2cccn2C)nn1-c1ccccc1Cl
InChIInChI=1S/C19H21ClN4O/c1-4-13(2)21-19(25)18-12-15(17-10-7-11-23(17)3)22-24(18)16-9-6-5-8-14(16)20/h5-13H,4H2,1-3H3,(H,21,25)/t13-/m1/s1
InChIKeyAVJZOGKZXCVRKZ-CYBMUJFWSA-N
MW356.86 g/mol
LogP4.06
Rot. Bonds5

About N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide

N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide (PubChem CID 7249045) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
PubChem CID7249045
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC NameN-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cc(-c2cccn2C)nn1-c1ccccc1Cl
InChIInChI=1S/C19H21ClN4O/c1-4-13(2)21-19(25)18-12-15(17-10-7-11-23(17)3)22-24(18)16-9-6-5-8-14(16)20/h5-13H,4H2,1-3H3,(H,21,25)/t13-/m1/s1
InChIKeyAVJZOGKZXCVRKZ-CYBMUJFWSA-N
XLogP4.06
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-1-(3,4-dichlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 3314854
N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 7218983
1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42758968
N-butan-2-yl-1-(2-chlorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3943939
N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 1053631
N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
CID 7271587
N-butan-2-yl-3-(1-methylpyrrol-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3315348
[1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 3965853
[1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 7360595
1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)-N-propan-2-ylpyrazole-5-carboxamide
CID 42758823
N-benzhydryl-1-(3,4-dichlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 3429186
N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 3603848

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide (CID 7249045) is N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide is CC[C@@H](C)NC(=O)c1cc(-c2cccn2C)nn1-c1ccccc1Cl.
What is the InChIKey of N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
The InChIKey is AVJZOGKZXCVRKZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-4-13(2)21-19(25)18-12-15(17-10-7-11-23(17)3)22-24(18)16-9-6-5-8-14(16)20/h5-13H,4H2,1-3H3,(H,21,25)/t13-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide has a molecular weight of 356.86 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 7249045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).