1-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide

C10H8F3N5O — CID 45255301

IUPAC1-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccnnc2)c(C(F)(F)F)n1
InChIInChI=1S/C10H8F3N5O/c1-18-5-7(8(17-18)10(11,12)13)9(19)16-6-2-3-14-15-4-6/h2-5H,1H3,(H,14,16,19)
InChIKeyWSQCTHXJYHBBTI-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.48
Rot. Bonds2

About 1-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 45255301) has the molecular formula C10H8F3N5O and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID45255301
Molecular FormulaC10H8F3N5O
Molecular Weight271.20 g/mol
Exact Mass271.07
IUPAC Name1-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccnnc2)c(C(F)(F)F)n1
InChIInChI=1S/C10H8F3N5O/c1-18-5-7(8(17-18)10(11,12)13)9(19)16-6-2-3-14-15-4-6/h2-5H,1H3,(H,14,16,19)
InChIKeyWSQCTHXJYHBBTI-UHFFFAOYSA-N
XLogP1.48
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Dimpropyridaz
CID 89968867
5-methyl-1-(3-methylbutan-2-yl)-N-(pyridazin-4-yl)-1H-pyrazole-4-carboxamide
CID 168450425
1-methyl-4-[[(3S)-4,4,4-trifluoro-3-pyrazol-1-ylbutanoyl]amino]pyrazole-3-carboxamide
CID 164642337
N-(5-carbamoyl-1-methyl-1H-pyrazol-4-yl)-1-(difluoromethyl)-1H-pyrazole-3-carboxamide
CID 4767870
4-({[1-(difluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide
CID 4770958
4-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide
CID 4771014
1-methyl-N-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 4773406
(1,5-dimethylpyrazol-4-yl)-N-{1-[(2,2,2-trifluoroethoxy)methyl]pyrazol-4-yl}ca rboxamide
CID 19584375
1,3-dimethyl-N-{1-[(2,2,2-trifluoroethoxy)methyl]-1H-pyrazol-4-yl}-1H-pyrazole-4-carboxamide
CID 19584423
1-methyl-N-(3-pyridinyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 1474579
5-Methyl-1-(2,2,2-trifluoro-ethyl)-1H-pyrazole-4-carboxylic acid pyridazin-4-ylamide
CID 45255296
5-(difluoromethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 45255883

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 45255301) is 1-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccnnc2)c(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is WSQCTHXJYHBBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O/c1-18-5-7(8(17-18)10(11,12)13)9(19)16-6-2-3-14-15-4-6/h2-5H,1H3,(H,14,16,19).
What are the key properties of 1-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 271.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 45255301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).