(1S)-2,2-dimethyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide

C10H12F3N3O — CID 136580665

IUPAC(1S)-2,2-dimethyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESCC1(C)C[C@@H]1C(=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C10H12F3N3O/c1-9(2)4-5(9)8(17)14-7-3-6(15-16-7)10(11,12)13/h3,5H,4H2,1-2H3,(H2,14,15,16,17)/t5-/m1/s1
InChIKeyYYWQVDFMCZSNML-RXMQYKEDSA-N
MW247.22 g/mol
LogP2.41
Rot. Bonds2

About (1S)-2,2-dimethyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide

(1S)-2,2-dimethyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 136580665) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide
PubChem CID136580665
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name(1S)-2,2-dimethyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESCC1(C)C[C@@H]1C(=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C10H12F3N3O/c1-9(2)4-5(9)8(17)14-7-3-6(15-16-7)10(11,12)13/h3,5H,4H2,1-2H3,(H2,14,15,16,17)/t5-/m1/s1
InChIKeyYYWQVDFMCZSNML-RXMQYKEDSA-N
XLogP2.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide
CID 5330972
Butanamide, N-(5-methyl-1H-pyrazol-3-yl)-
CID 5330971
3-Trifluoroacetylamino-5-methylpyrazole
CID 15312520
N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 2819087
5-methoxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide
CID 71847755
N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
CID 86717284
3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 47404991
2-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide
CID 71847753
4,4,4-trifluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]butanamide
CID 75374688
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
CID 126794125
N-[N'-tert-butyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]cyclopentanecarboxamide
CID 72694897
N-[N'-tert-butyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-3-methylbutanamide
CID 72694899

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dimethyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide (CID 136580665) is (1S)-2,2-dimethyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dimethyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dimethyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide is CC1(C)C[C@@H]1C(=O)Nc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of (1S)-2,2-dimethyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is YYWQVDFMCZSNML-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-9(2)4-5(9)8(17)14-7-3-6(15-16-7)10(11,12)13/h3,5H,4H2,1-2H3,(H2,14,15,16,17)/t5-/m1/s1.
What are the key properties of (1S)-2,2-dimethyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide?
(1S)-2,2-dimethyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 247.22 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 136580665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).