1-ethyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide

C17H16F3N5O — CID 35531873

IUPAC1-ethyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C)cc2)n1
InChIInChI=1S/C17H16F3N5O/c1-3-24-9-8-14(22-24)16(26)21-12-4-6-13(7-5-12)25-11(2)10-15(23-25)17(18,19)20/h4-10H,3H2,1-2H3,(H,21,26)
InChIKeyDSQWVWKXWPHOAJ-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.67
Rot. Bonds4

About 1-ethyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide

1-ethyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide (PubChem CID 35531873) has the molecular formula C17H16F3N5O and a molecular weight of 363.34 g/mol. Its IUPAC name is 1-ethyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide
PubChem CID35531873
Molecular FormulaC17H16F3N5O
Molecular Weight363.34 g/mol
Exact Mass363.13
IUPAC Name1-ethyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C)cc2)n1
InChIInChI=1S/C17H16F3N5O/c1-3-24-9-8-14(22-24)16(26)21-12-4-6-13(7-5-12)25-11(2)10-15(23-25)17(18,19)20/h4-10H,3H2,1-2H3,(H,21,26)
InChIKeyDSQWVWKXWPHOAJ-UHFFFAOYSA-N
XLogP3.67
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide
CID 35761971
1-(3-chlorophenyl)-3-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
CID 86344311
1-methyl-3-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiourea
CID 35766702
N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide
CID 6469151
N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
CID 6470772
1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide
CID 131908281
N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 6466747
propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate
CID 19580076
1-methyl-N-[4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 19530968
1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide
CID 19563725
4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 19616585
3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506568

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide (CID 35531873) is 1-ethyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C)cc2)n1.
What is the InChIKey of 1-ethyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide?
The InChIKey is DSQWVWKXWPHOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O/c1-3-24-9-8-14(22-24)16(26)21-12-4-6-13(7-5-12)25-11(2)10-15(23-25)17(18,19)20/h4-10H,3H2,1-2H3,(H,21,26).
What are the key properties of 1-ethyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide?
1-ethyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide has a molecular weight of 363.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 35531873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).