1,5-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-4-carboxamide

C10H11F3N6O — CID 119068401

IUPAC1,5-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2nc(C(F)(F)F)n[nH]2)cnn1C
InChIInChI=1S/C10H11F3N6O/c1-5-6(3-15-19(5)2)8(20)14-4-7-16-9(18-17-7)10(11,12)13/h3H,4H2,1-2H3,(H,14,20)(H,16,17,18)
InChIKeyPMQSVCKQQUSWRI-UHFFFAOYSA-N
MW288.23 g/mol
LogP0.80
Rot. Bonds3

About 1,5-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-4-carboxamide

1,5-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-4-carboxamide (PubChem CID 119068401) has the molecular formula C10H11F3N6O and a molecular weight of 288.23 g/mol. Its IUPAC name is 1,5-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-4-carboxamide
PubChem CID119068401
Molecular FormulaC10H11F3N6O
Molecular Weight288.23 g/mol
Exact Mass288.09
IUPAC Name1,5-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2nc(C(F)(F)F)n[nH]2)cnn1C
InChIInChI=1S/C10H11F3N6O/c1-5-6(3-15-19(5)2)8(20)14-4-7-16-9(18-17-7)10(11,12)13/h3H,4H2,1-2H3,(H,14,20)(H,16,17,18)
InChIKeyPMQSVCKQQUSWRI-UHFFFAOYSA-N
XLogP0.80
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-butan-2-yl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide
CID 129204988
1,5-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrazole-4-carboxamide
CID 45819192
(5-methyl-1H-pyrazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 46959348
N-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1-isopropyl-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 118784094
N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 126824982
1-tert-butyl-3-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 132345566
5-cyclopropyl-1-methyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-carboxamide
CID 164635270
5-(difluoromethyl)-N-[1-methyl-3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-1-(2-methylpropyl)-1H-pyrazole-4-carboxamide
CID 75391143
N-(2,2-difluoroethyl)-1,3-dimethyl-5-(2-methyl-1H-imidazol-1-yl)-1H-pyrazole-4-carboxamide
CID 91653361
1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 134355002
N-[3-(2-methylimidazol-1-yl)propyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 45912647
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51114968

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-4-carboxamide (CID 119068401) is 1,5-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCc2nc(C(F)(F)F)n[nH]2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is PMQSVCKQQUSWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6O/c1-5-6(3-15-19(5)2)8(20)14-4-7-16-9(18-17-7)10(11,12)13/h3H,4H2,1-2H3,(H,14,20)(H,16,17,18).
What are the key properties of 1,5-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-4-carboxamide?
1,5-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 288.23 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 119068401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).