N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-pyrazole-4-carboxamide

C11H14F3N3O — CID 124608848

IUPACN-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9(7-3-1-2-4-7)17-10(18)8-5-15-16-6-8/h5-7,9H,1-4H2,(H,15,16)(H,17,18)/t9-/m0/s1
InChIKeyOUIIKXLGSLNBRD-VIFPVBQESA-N
MW261.25 g/mol
LogP2.26
Rot. Bonds3

About N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-pyrazole-4-carboxamide

N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-pyrazole-4-carboxamide (PubChem CID 124608848) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-pyrazole-4-carboxamide
PubChem CID124608848
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9(7-3-1-2-4-7)17-10(18)8-5-15-16-6-8/h5-7,9H,1-4H2,(H,15,16)(H,17,18)/t9-/m0/s1
InChIKeyOUIIKXLGSLNBRD-VIFPVBQESA-N
XLogP2.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide
CID 122160170
2-(1H-pyrazol-4-ylcarbonyl)-2-azaspiro[4.4]nonane
CID 124205376
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
CID 126776789
N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43582804
1-(1H-pyrazole-4-carbonyl)-4-(trifluoromethyl)piperidine
CID 65532420
N-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide
CID 79078834
(3,3-difluoropyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 122269196
N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide
CID 127006745
N-(5-fluoro-2-adamantyl)-1H-pyrazole-4-carboxamide
CID 141184157
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
1H-pyrazol-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 28071081
1H-pyrazol-4-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 28071083

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-pyrazole-4-carboxamide (CID 124608848) is N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-pyrazole-4-carboxamide is O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cn[nH]c1.
What is the InChIKey of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is OUIIKXLGSLNBRD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)9(7-3-1-2-4-7)17-10(18)8-5-15-16-6-8/h5-7,9H,1-4H2,(H,15,16)(H,17,18)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-pyrazole-4-carboxamide?
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 261.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 124608848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).