N,3,5-trimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide

C10H14F3N3O — CID 63652850

IUPACN,3,5-trimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-6-8(7(2)15-14-6)9(17)16(3)5-4-10(11,12)13/h4-5H2,1-3H3,(H,14,15)
InChIKeyKFTIZWGWOCWJAK-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.05
Rot. Bonds3

About N,3,5-trimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide

N,3,5-trimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide (PubChem CID 63652850) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N,3,5-trimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
PubChem CID63652850
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN,3,5-trimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-6-8(7(2)15-14-6)9(17)16(3)5-4-10(11,12)13/h4-5H2,1-3H3,(H,14,15)
InChIKeyKFTIZWGWOCWJAK-UHFFFAOYSA-N
XLogP2.05
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,3,5-trimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N,3,5-trimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide (CID 63652850) is N,3,5-trimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,3,5-trimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,3,5-trimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)N(C)CCC(F)(F)F.
What is the InChIKey of N,3,5-trimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is KFTIZWGWOCWJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-6-8(7(2)15-14-6)9(17)16(3)5-4-10(11,12)13/h4-5H2,1-3H3,(H,14,15).
What are the key properties of N,3,5-trimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide?
N,3,5-trimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 249.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63652850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).