N-(5-propyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H17F3N4O — CID 104618192

IUPACN-(5-propyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCCc1cc(NC(=O)C2(C(F)(F)F)CCNC2)n[nH]1
InChIInChI=1S/C12H17F3N4O/c1-2-3-8-6-9(19-18-8)17-10(20)11(12(13,14)15)4-5-16-7-11/h6,16H,2-5,7H2,1H3,(H2,17,18,19,20)
InChIKeyCTTGSYRDVCRCIE-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.84
Rot. Bonds4

About N-(5-propyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(5-propyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 104618192) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(5-propyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-propyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID104618192
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN-(5-propyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCCc1cc(NC(=O)C2(C(F)(F)F)CCNC2)n[nH]1
InChIInChI=1S/C12H17F3N4O/c1-2-3-8-6-9(19-18-8)17-10(20)11(12(13,14)15)4-5-16-7-11/h6,16H,2-5,7H2,1H3,(H2,17,18,19,20)
InChIKeyCTTGSYRDVCRCIE-UHFFFAOYSA-N
XLogP1.84
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide
CID 71459241
3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 47404991
1-cyano-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide
CID 72126637
4-methyl-N-[2-oxo-2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pentanamide
CID 72147396
4,4,4-trifluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]butanamide
CID 75374688
N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide
CID 75514181
2,2-dimethyl-N-[2-oxo-2-[[5-[(2S)-pentan-2-yl]-1H-pyrazol-3-yl]amino]ethyl]propanamide
CID 97583952
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
CID 126794125
(2S)-4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 164643032
(3S,4S)-N-(5-cyclopropyl-1-ethyl-1H-pyrazol-3-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963558
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide
CID 59333035
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide
CID 59333043

Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(5-propyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 104618192) is N-(5-propyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-propyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-propyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCCc1cc(NC(=O)C2(C(F)(F)F)CCNC2)n[nH]1.
What is the InChIKey of N-(5-propyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is CTTGSYRDVCRCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-2-3-8-6-9(19-18-8)17-10(20)11(12(13,14)15)4-5-16-7-11/h6,16H,2-5,7H2,1H3,(H2,17,18,19,20).
What are the key properties of N-(5-propyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(5-propyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 104618192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).