1-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

C14H21F3N4O — CID 51091459

IUPAC1-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC1CCCCN1CCNC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C14H21F3N4O/c1-10-5-3-4-7-21(10)8-6-18-13(22)11-9-20(2)19-12(11)14(15,16)17/h9-10H,3-8H2,1-2H3,(H,18,22)
InChIKeyQCVPPIFSHSPQRG-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.04
Rot. Bonds4

About 1-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 51091459) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID51091459
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC Name1-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC1CCCCN1CCNC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C14H21F3N4O/c1-10-5-3-4-7-21(10)8-6-18-13(22)11-9-20(2)19-12(11)14(15,16)17/h9-10H,3-8H2,1-2H3,(H,18,22)
InChIKeyQCVPPIFSHSPQRG-UHFFFAOYSA-N
XLogP2.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 51091459) is 1-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is CC1CCCCN1CCNC(=O)c1cn(C)nc1C(F)(F)F.
What is the InChIKey of 1-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is QCVPPIFSHSPQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-10-5-3-4-7-21(10)8-6-18-13(22)11-9-20(2)19-12(11)14(15,16)17/h9-10H,3-8H2,1-2H3,(H,18,22).
What are the key properties of 1-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 51091459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).