N-cycloheptyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C13H18F3N3O — CID 1236015

IUPACN-cycloheptyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC1CCCCCC1
InChIInChI=1S/C13H18F3N3O/c1-19-10(8-11(18-19)13(14,15)16)12(20)17-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H,17,20)
InChIKeyGECNDPHTALSUBH-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.89
Rot. Bonds2

About N-cycloheptyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-cycloheptyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 1236015) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-cycloheptyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID1236015
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-cycloheptyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC1CCCCCC1
InChIInChI=1S/C13H18F3N3O/c1-19-10(8-11(18-19)13(14,15)16)12(20)17-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H,17,20)
InChIKeyGECNDPHTALSUBH-UHFFFAOYSA-N
XLogP2.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-cycloheptyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 1236015) is N-cycloheptyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is GECNDPHTALSUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-19-10(8-11(18-19)13(14,15)16)12(20)17-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H,17,20).
What are the key properties of N-cycloheptyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-cycloheptyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 1236015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).