N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide

C13H14F2N4OS — CID 67397219

IUPACN-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)N(Cc2cscn2)C2CC2)c(C(F)F)n1
InChIInChI=1S/C13H14F2N4OS/c1-18-5-10(11(17-18)12(14)15)13(20)19(9-2-3-9)4-8-6-21-7-16-8/h5-7,9,12H,2-4H2,1H3
InChIKeyHBRVWTAROJXVME-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.62
Rot. Bonds5

About N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide

N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide (PubChem CID 67397219) has the molecular formula C13H14F2N4OS and a molecular weight of 312.34 g/mol. Its IUPAC name is N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide
PubChem CID67397219
Molecular FormulaC13H14F2N4OS
Molecular Weight312.34 g/mol
Exact Mass312.09
IUPAC NameN-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)N(Cc2cscn2)C2CC2)c(C(F)F)n1
InChIInChI=1S/C13H14F2N4OS/c1-18-5-10(11(17-18)12(14)15)13(20)19(9-2-3-9)4-8-6-21-7-16-8/h5-7,9,12H,2-4H2,1H3
InChIKeyHBRVWTAROJXVME-UHFFFAOYSA-N
XLogP2.62
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide (CID 67397219) is N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)N(Cc2cscn2)C2CC2)c(C(F)F)n1.
What is the InChIKey of N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is HBRVWTAROJXVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4OS/c1-18-5-10(11(17-18)12(14)15)13(20)19(9-2-3-9)4-8-6-21-7-16-8/h5-7,9,12H,2-4H2,1H3.
What are the key properties of N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide?
N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 67397219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).