N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide

C19H25FN4O — CID 92581576

IUPACN-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)NC[C@@H](c1ccccc1F)N1CCCC1
InChIInChI=1S/C19H25FN4O/c1-14(2)24-17(9-10-22-24)19(25)21-13-18(23-11-5-6-12-23)15-7-3-4-8-16(15)20/h3-4,7-10,14,18H,5-6,11-13H2,1-2H3,(H,21,25)/t18-/m0/s1
InChIKeyQDDJJBNWSFQPQF-SFHVURJKSA-N
MW344.43 g/mol
LogP3.17
Rot. Bonds6

About N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 92581576) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID92581576
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC NameN-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)NC[C@@H](c1ccccc1F)N1CCCC1
InChIInChI=1S/C19H25FN4O/c1-14(2)24-17(9-10-22-24)19(25)21-13-18(23-11-5-6-12-23)15-7-3-4-8-16(15)20/h3-4,7-10,14,18H,5-6,11-13H2,1-2H3,(H,21,25)/t18-/m0/s1
InChIKeyQDDJJBNWSFQPQF-SFHVURJKSA-N
XLogP3.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
CID 72935954
N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 125158769
N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91829882
N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97124934
2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 125164934
N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95148410
4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 125170249
7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide
CID 131908439
N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidin-4-amine
CID 97151283
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30478046
2-(2-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34936220
2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51931088

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide (CID 92581576) is N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1nccc1C(=O)NC[C@@H](c1ccccc1F)N1CCCC1.
What is the InChIKey of N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is QDDJJBNWSFQPQF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-14(2)24-17(9-10-22-24)19(25)21-13-18(23-11-5-6-12-23)15-7-3-4-8-16(15)20/h3-4,7-10,14,18H,5-6,11-13H2,1-2H3,(H,21,25)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide?
N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 92581576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).