N-(4-carbamoyl-2-fluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide

C17H20FN5O2 — CID 75442912

IUPACN-(4-carbamoyl-2-fluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1n[nH]c(C)c1C1CCCN1C(=O)Nc1ccc(C(N)=O)cc1F
InChIInChI=1S/C17H20FN5O2/c1-9-15(10(2)22-21-9)14-4-3-7-23(14)17(25)20-13-6-5-11(16(19)24)8-12(13)18/h5-6,8,14H,3-4,7H2,1-2H3,(H2,19,24)(H,20,25)(H,21,22)
InChIKeyRJWLYYXVRHFCAG-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.63
Rot. Bonds3

About N-(4-carbamoyl-2-fluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide

N-(4-carbamoyl-2-fluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 75442912) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is N-(4-carbamoyl-2-fluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-2-fluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID75442912
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC NameN-(4-carbamoyl-2-fluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1n[nH]c(C)c1C1CCCN1C(=O)Nc1ccc(C(N)=O)cc1F
InChIInChI=1S/C17H20FN5O2/c1-9-15(10(2)22-21-9)14-4-3-7-23(14)17(25)20-13-6-5-11(16(19)24)8-12(13)18/h5-6,8,14H,3-4,7H2,1-2H3,(H2,19,24)(H,20,25)(H,21,22)
InChIKeyRJWLYYXVRHFCAG-UHFFFAOYSA-N
XLogP2.63
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(6-methylquinolin-8-yl)pyrrolidine-1-carboxamide
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(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-pyridin-2-ylazepane-1-carboxamide
CID 97158690
N-(2,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 53009661
N-(4-bromo-2-fluorophenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
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(2S)-N-(4-bromo-2-fluorophenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92732732
(2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 94080873
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)pyrrolidine-1-carboxamide
CID 97158372
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-fluorobenzoic acid
CID 63190287
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrrolidine-1-carboxamide
CID 84595420
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(triazol-1-yl)phenyl]azepane-1-carboxamide
CID 86771220
[(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 97249412

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-2-fluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-carbamoyl-2-fluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide (CID 75442912) is N-(4-carbamoyl-2-fluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-2-fluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-carbamoyl-2-fluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide is Cc1n[nH]c(C)c1C1CCCN1C(=O)Nc1ccc(C(N)=O)cc1F.
What is the InChIKey of N-(4-carbamoyl-2-fluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is RJWLYYXVRHFCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-9-15(10(2)22-21-9)14-4-3-7-23(14)17(25)20-13-6-5-11(16(19)24)8-12(13)18/h5-6,8,14H,3-4,7H2,1-2H3,(H2,19,24)(H,20,25)(H,21,22).
What are the key properties of N-(4-carbamoyl-2-fluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
N-(4-carbamoyl-2-fluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-2-fluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75442912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).