3-(difluoromethyl)-1-methyl-5-(4-methylpiperidin-1-yl)pyrazole-4-carboxamide

C12H18F2N4O — CID 66901616

IUPAC3-(difluoromethyl)-1-methyl-5-(4-methylpiperidin-1-yl)pyrazole-4-carboxamide
SMILESCC1CCN(c2c(C(N)=O)c(C(F)F)nn2C)CC1
InChIInChI=1S/C12H18F2N4O/c1-7-3-5-18(6-4-7)12-8(11(15)19)9(10(13)14)16-17(12)2/h7,10H,3-6H2,1-2H3,(H2,15,19)
InChIKeyLTXZORSYNWLGSU-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.69
Rot. Bonds3

About 3-(difluoromethyl)-1-methyl-5-(4-methylpiperidin-1-yl)pyrazole-4-carboxamide

3-(difluoromethyl)-1-methyl-5-(4-methylpiperidin-1-yl)pyrazole-4-carboxamide (PubChem CID 66901616) has the molecular formula C12H18F2N4O and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-5-(4-methylpiperidin-1-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-5-(4-methylpiperidin-1-yl)pyrazole-4-carboxamide
PubChem CID66901616
Molecular FormulaC12H18F2N4O
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name3-(difluoromethyl)-1-methyl-5-(4-methylpiperidin-1-yl)pyrazole-4-carboxamide
SMILESCC1CCN(c2c(C(N)=O)c(C(F)F)nn2C)CC1
InChIInChI=1S/C12H18F2N4O/c1-7-3-5-18(6-4-7)12-8(11(15)19)9(10(13)14)16-17(12)2/h7,10H,3-6H2,1-2H3,(H2,15,19)
InChIKeyLTXZORSYNWLGSU-UHFFFAOYSA-N
XLogP1.69
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-5-(4-methylpiperidin-1-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-5-(4-methylpiperidin-1-yl)pyrazole-4-carboxamide (CID 66901616) is 3-(difluoromethyl)-1-methyl-5-(4-methylpiperidin-1-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-5-(4-methylpiperidin-1-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-5-(4-methylpiperidin-1-yl)pyrazole-4-carboxamide is CC1CCN(c2c(C(N)=O)c(C(F)F)nn2C)CC1.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-5-(4-methylpiperidin-1-yl)pyrazole-4-carboxamide?
The InChIKey is LTXZORSYNWLGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O/c1-7-3-5-18(6-4-7)12-8(11(15)19)9(10(13)14)16-17(12)2/h7,10H,3-6H2,1-2H3,(H2,15,19).
What are the key properties of 3-(difluoromethyl)-1-methyl-5-(4-methylpiperidin-1-yl)pyrazole-4-carboxamide?
3-(difluoromethyl)-1-methyl-5-(4-methylpiperidin-1-yl)pyrazole-4-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-5-(4-methylpiperidin-1-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 66901616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).