N-[(1-ethylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C11H12F3N5O — CID 19508279

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCCn1ccc(CNC(=O)c2cc(C(F)(F)F)[nH]n2)n1
InChIInChI=1S/C11H12F3N5O/c1-2-19-4-3-7(18-19)6-15-10(20)8-5-9(17-16-8)11(12,13)14/h3-5H,2,6H2,1H3,(H,15,20)(H,16,17)
InChIKeyLNNYJMJKSFDYBW-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.57
Rot. Bonds4

About N-[(1-ethylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[(1-ethylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 19508279) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID19508279
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCCn1ccc(CNC(=O)c2cc(C(F)(F)F)[nH]n2)n1
InChIInChI=1S/C11H12F3N5O/c1-2-19-4-3-7(18-19)6-15-10(20)8-5-9(17-16-8)11(12,13)14/h3-5H,2,6H2,1H3,(H,15,20)(H,16,17)
InChIKeyLNNYJMJKSFDYBW-UHFFFAOYSA-N
XLogP1.57
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513078
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331013
N-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508355
N-[(1-ethylpyrazol-3-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19581507
4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481676
5-(3,4-dimethylphenyl)-N-[(1-ethylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19331190
4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135803693
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19284590
N-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide
CID 4865656
N-[(1-methylpyrazol-3-yl)methyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135577428
N-[(1-ethylpyrazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519237
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 19508279) is N-[(1-ethylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is CCn1ccc(CNC(=O)c2cc(C(F)(F)F)[nH]n2)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is LNNYJMJKSFDYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-2-19-4-3-7(18-19)6-15-10(20)8-5-9(17-16-8)11(12,13)14/h3-5H,2,6H2,1H3,(H,15,20)(H,16,17).
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[(1-ethylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 287.25 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19508279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).