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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Related Compounds

N-cyclopentyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 841522
N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 162664964
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
5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
CID 118433073
2-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
CID 72210834
2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide
CID 162540442
N-butyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 1877172
N-Isobutyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 19279617
4-(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)-3,3-dimethylpiperazin-2-one
CID 25854652

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).