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

C13H14F3N5O — CID 118278897

IUPACN,5-dimethyl-N-pyridazin-4-yl-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)c2ccnnc2)cnn1C(C)C(F)(F)F
InChIInChI=1S/C13H14F3N5O/c1-8-11(7-19-21(8)9(2)13(14,15)16)12(22)20(3)10-4-5-17-18-6-10/h4-7,9H,1-3H3
InChIKeyDTHUVVADVUNYKW-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.38
Rot. Bonds3

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

N,5-dimethyl-N-pyridazin-4-yl-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide (PubChem CID 118278897) has the molecular formula C13H14F3N5O and a molecular weight of 313.28 g/mol. Its IUPAC name is N,5-dimethyl-N-pyridazin-4-yl-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-pyridazin-4-yl-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide
PubChem CID118278897
Molecular FormulaC13H14F3N5O
Molecular Weight313.28 g/mol
Exact Mass313.12
IUPAC NameN,5-dimethyl-N-pyridazin-4-yl-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)c2ccnnc2)cnn1C(C)C(F)(F)F
InChIInChI=1S/C13H14F3N5O/c1-8-11(7-19-21(8)9(2)13(14,15)16)12(22)20(3)10-4-5-17-18-6-10/h4-7,9H,1-3H3
InChIKeyDTHUVVADVUNYKW-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-N-pyridazin-4-yl-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide (CID 118278897) is N,5-dimethyl-N-pyridazin-4-yl-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-pyridazin-4-yl-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-N-pyridazin-4-yl-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide is Cc1c(C(=O)N(C)c2ccnnc2)cnn1C(C)C(F)(F)F.
What is the InChIKey of N,5-dimethyl-N-pyridazin-4-yl-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide?
The InChIKey is DTHUVVADVUNYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O/c1-8-11(7-19-21(8)9(2)13(14,15)16)12(22)20(3)10-4-5-17-18-6-10/h4-7,9H,1-3H3.
What are the key properties of N,5-dimethyl-N-pyridazin-4-yl-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide?
N,5-dimethyl-N-pyridazin-4-yl-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide has a molecular weight of 313.28 g/mol, XLogP of 2.38, 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-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 118278897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).