N,5-dimethyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C12H12F3N5O — CID 45255884

IUPACN,5-dimethyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)c2ccnnc2)cnn1CC(F)(F)F
InChIInChI=1S/C12H12F3N5O/c1-8-10(6-18-20(8)7-12(13,14)15)11(21)19(2)9-3-4-16-17-5-9/h3-6H,7H2,1-2H3
InChIKeyMMRVSZZVFJXVBC-UHFFFAOYSA-N
MW299.26 g/mol
LogP1.82
Rot. Bonds3

About N,5-dimethyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

N,5-dimethyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 45255884) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is N,5-dimethyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID45255884
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC NameN,5-dimethyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)c2ccnnc2)cnn1CC(F)(F)F
InChIInChI=1S/C12H12F3N5O/c1-8-10(6-18-20(8)7-12(13,14)15)11(21)19(2)9-3-4-16-17-5-9/h3-6H,7H2,1-2H3
InChIKeyMMRVSZZVFJXVBC-UHFFFAOYSA-N
XLogP1.82
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 45255884) is N,5-dimethyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is Cc1c(C(=O)N(C)c2ccnnc2)cnn1CC(F)(F)F.
What is the InChIKey of N,5-dimethyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is MMRVSZZVFJXVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O/c1-8-10(6-18-20(8)7-12(13,14)15)11(21)19(2)9-3-4-16-17-5-9/h3-6H,7H2,1-2H3.
What are the key properties of N,5-dimethyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
N,5-dimethyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 299.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 45255884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).