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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Related Compounds

N-cyclopentyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 841522
N-cycloheptyl-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 1236015
N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 162664964
N,5-ditert-butyl-1-pentylpyrazole-3-carboxamide
CID 162668036
5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide
CID 162677250
N-cycloheptyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 1224578
N,1,5-trimethyl-1H-pyrazole-3-carboxamide
CID 19279808
5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
CID 118433286
(1,5-Dimethylpyrazol-3-yl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
CID 2738511
N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 856392
1-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 53501404
5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
CID 118433073

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).