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

C11H15F3N4O — CID 104617992

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCc1cc(NC(=O)C2(C(F)(F)F)CCNC2)n[nH]1
InChIInChI=1S/C11H15F3N4O/c1-2-7-5-8(18-17-7)16-9(19)10(11(12,13)14)3-4-15-6-10/h5,15H,2-4,6H2,1H3,(H2,16,17,18,19)
InChIKeyKGCCCRMICSACCT-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.45
Rot. Bonds3

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

N-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 104617992) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID104617992
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCc1cc(NC(=O)C2(C(F)(F)F)CCNC2)n[nH]1
InChIInChI=1S/C11H15F3N4O/c1-2-7-5-8(18-17-7)16-9(19)10(11(12,13)14)3-4-15-6-10/h5,15H,2-4,6H2,1H3,(H2,16,17,18,19)
InChIKeyKGCCCRMICSACCT-UHFFFAOYSA-N
XLogP1.45
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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4-methyl-N-[2-oxo-2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pentanamide
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4,4,4-trifluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]butanamide
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N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide
CID 75514181
1-(5-ethyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)urea
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N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
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(2S)-4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide
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(3S,4S)-N-(5-cyclopropyl-1-ethyl-1H-pyrazol-3-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
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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
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 104617992) is N-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCc1cc(NC(=O)C2(C(F)(F)F)CCNC2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is KGCCCRMICSACCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-2-7-5-8(18-17-7)16-9(19)10(11(12,13)14)3-4-15-6-10/h5,15H,2-4,6H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 104617992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).