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

C12H16F3N3O — CID 4770701

IUPACN-cyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-18-10(12(13,14)15)7-9(17-18)11(19)16-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,16,19)
InChIKeyDHQSSVGEMVYECK-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.50
Rot. Bonds2

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

N-cyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 4770701) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID4770701
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-cyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-18-10(12(13,14)15)7-9(17-18)11(19)16-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,16,19)
InChIKeyDHQSSVGEMVYECK-UHFFFAOYSA-N
XLogP2.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 4770701) is N-cyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)NC2CCCCC2)cc1C(F)(F)F.
What is the InChIKey of N-cyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is DHQSSVGEMVYECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-18-10(12(13,14)15)7-9(17-18)11(19)16-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,16,19).
What are the key properties of N-cyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
N-cyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4770701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).