1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide

C22H23FN4O — CID 38442047

IUPAC1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)cnn1-c1ccccc1F
InChIInChI=1S/C22H23FN4O/c1-16-19(14-25-27(16)21-10-6-5-9-20(21)23)22(28)24-13-17-11-12-26(15-17)18-7-3-2-4-8-18/h2-10,14,17H,11-13,15H2,1H3,(H,24,28)/t17-/m0/s1
InChIKeyKOWYPZJXYFTPMA-KRWDZBQOSA-N
MW378.45 g/mol
LogP3.58
Rot. Bonds5

About 1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide

1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide (PubChem CID 38442047) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
PubChem CID38442047
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)cnn1-c1ccccc1F
InChIInChI=1S/C22H23FN4O/c1-16-19(14-25-27(16)21-10-6-5-9-20(21)23)22(28)24-13-17-11-12-26(15-17)18-7-3-2-4-8-18/h2-10,14,17H,11-13,15H2,1H3,(H,24,28)/t17-/m0/s1
InChIKeyKOWYPZJXYFTPMA-KRWDZBQOSA-N
XLogP3.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide
CID 55678741
N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33383595
5-amino-N-(cyclopropylmethyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 166285161
1-benzyl-5-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide
CID 78873548
1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 43049949
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 125143348
2-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 38442503
1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide
CID 134026765
N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119629809
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 55621618

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide (CID 38442047) is 1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide is Cc1c(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)cnn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is KOWYPZJXYFTPMA-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-16-19(14-25-27(16)21-10-6-5-9-20(21)23)22(28)24-13-17-11-12-26(15-17)18-7-3-2-4-8-18/h2-10,14,17H,11-13,15H2,1H3,(H,24,28)/t17-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?
1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 38442047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).