N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide

C19H25FN4O — CID 97124934

IUPACN-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC[C@@H](c2ccccc2F)N2CCCC2)n[nH]1
InChIInChI=1S/C19H25FN4O/c1-2-7-14-12-17(23-22-14)19(25)21-13-18(24-10-5-6-11-24)15-8-3-4-9-16(15)20/h3-4,8-9,12,18H,2,5-7,10-11,13H2,1H3,(H,21,25)(H,22,23)/t18-/m0/s1
InChIKeyFQAKAPZIBGCKNR-SFHVURJKSA-N
MW344.43 g/mol
LogP3.07
Rot. Bonds7

About N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide

N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 97124934) 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]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID97124934
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC NameN-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC[C@@H](c2ccccc2F)N2CCCC2)n[nH]1
InChIInChI=1S/C19H25FN4O/c1-2-7-14-12-17(23-22-14)19(25)21-13-18(24-10-5-6-11-24)15-8-3-4-9-16(15)20/h3-4,8-9,12,18H,2,5-7,10-11,13H2,1H3,(H,21,25)(H,22,23)/t18-/m0/s1
InChIKeyFQAKAPZIBGCKNR-SFHVURJKSA-N
XLogP3.07
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95148410
N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91829882
2-ethyl-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
CID 72935954
N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97118692
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 167942351
N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 92581576
2-(2,5-dimethylphenyl)-N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 125164934
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43005804
N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 125158769
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 167839511
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 167983894
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829216

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 97124934) is N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NC[C@@H](c2ccccc2F)N2CCCC2)n[nH]1.
What is the InChIKey of N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is FQAKAPZIBGCKNR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-2-7-14-12-17(23-22-14)19(25)21-13-18(24-10-5-6-11-24)15-8-3-4-9-16(15)20/h3-4,8-9,12,18H,2,5-7,10-11,13H2,1H3,(H,21,25)(H,22,23)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97124934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).