3-cyclopropyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide

C12H16F3N3O — CID 47477420

IUPAC3-cyclopropyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
SMILESCc1c(NC(=O)CC(C)C2CC2)n[nH]c1C(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-6(8-3-4-8)5-9(19)16-11-7(2)10(17-18-11)12(13,14)15/h6,8H,3-5H2,1-2H3,(H2,16,17,18,19)
InChIKeyOYUCSTRRCJMWKR-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.11
Rot. Bonds4

About 3-cyclopropyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide

3-cyclopropyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide (PubChem CID 47477420) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-cyclopropyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
PubChem CID47477420
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name3-cyclopropyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
SMILESCc1c(NC(=O)CC(C)C2CC2)n[nH]c1C(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-6(8-3-4-8)5-9(19)16-11-7(2)10(17-18-11)12(13,14)15/h6,8H,3-5H2,1-2H3,(H2,16,17,18,19)
InChIKeyOYUCSTRRCJMWKR-UHFFFAOYSA-N
XLogP3.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide
CID 71847753
(1S)-2,2-dimethyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide
CID 136580665
2-cyclobutyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylpropanamide
CID 137957091
N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
CID 47474927
ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
CID 144617155
N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47289838
N-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]cyclopentanecarboxamide
CID 75532270
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81930447
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81930467
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 81930487
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932745
4,4-difluoro-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
CID 81932763

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide?
The IUPAC name of 3-cyclopropyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide (CID 47477420) is 3-cyclopropyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide.
What is the SMILES notation for 3-cyclopropyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide?
The canonical SMILES for 3-cyclopropyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide is Cc1c(NC(=O)CC(C)C2CC2)n[nH]c1C(F)(F)F.
What is the InChIKey of 3-cyclopropyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide?
The InChIKey is OYUCSTRRCJMWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-6(8-3-4-8)5-9(19)16-11-7(2)10(17-18-11)12(13,14)15/h6,8H,3-5H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 3-cyclopropyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide?
3-cyclopropyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide has a molecular weight of 275.27 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide is sourced from PubChem (CID 47477420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).