N-methyl-1-propan-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C13H14F3N5O — CID 59607023

IUPACN-methyl-1-propan-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)N(C)c2ccnnc2)c1C(F)(F)F
InChIInChI=1S/C13H14F3N5O/c1-8(2)21-11(13(14,15)16)10(7-19-21)12(22)20(3)9-4-5-17-18-6-9/h4-8H,1-3H3
InChIKeyQBOBCEICUKEIHR-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.55
Rot. Bonds3

About N-methyl-1-propan-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-methyl-1-propan-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 59607023) has the molecular formula C13H14F3N5O and a molecular weight of 313.28 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID59607023
Molecular FormulaC13H14F3N5O
Molecular Weight313.28 g/mol
Exact Mass313.12
IUPAC NameN-methyl-1-propan-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)N(C)c2ccnnc2)c1C(F)(F)F
InChIInChI=1S/C13H14F3N5O/c1-8(2)21-11(13(14,15)16)10(7-19-21)12(22)20(3)9-4-5-17-18-6-9/h4-8H,1-3H3
InChIKeyQBOBCEICUKEIHR-UHFFFAOYSA-N
XLogP2.55
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
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
pyrazolo[1,5-a]pyrazin-3-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 164631806
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-(triazol-1-yl)piperidin-1-yl]methanone
CID 164639164
5-Methyl-1-(2,2,2-trifluoro-ethyl)-1H-pyrazole-4-carboxylic acid pyridazin-4-ylamide
CID 45255296
1-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45255301
5-(difluoromethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 45255883
3-(difluoromethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 45255889
N,3-dimethyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 58270481
N,1-dimethyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 59606951
3-[chloro(difluoro)methyl]-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 59606981
N-methyl-N-pyridin-3-yl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 59606992

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-methyl-1-propan-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 59607023) is N-methyl-1-propan-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-1-propan-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-1-propan-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is CC(C)n1ncc(C(=O)N(C)c2ccnnc2)c1C(F)(F)F.
What is the InChIKey of N-methyl-1-propan-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is QBOBCEICUKEIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O/c1-8(2)21-11(13(14,15)16)10(7-19-21)12(22)20(3)9-4-5-17-18-6-9/h4-8H,1-3H3.
What are the key properties of N-methyl-1-propan-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-methyl-1-propan-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 313.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 59607023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).