N-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C12H16F3N3O — CID 47327530

IUPACN-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCn1cc(NC(=O)C2CCCCC2C(F)(F)F)cn1
InChIInChI=1S/C12H16F3N3O/c1-18-7-8(6-16-18)17-11(19)9-4-2-3-5-10(9)12(13,14)15/h6-7,9-10H,2-5H2,1H3,(H,17,19)
InChIKeyJLIRVBGQEDRVMA-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.73
Rot. Bonds2

About N-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 47327530) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID47327530
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCn1cc(NC(=O)C2CCCCC2C(F)(F)F)cn1
InChIInChI=1S/C12H16F3N3O/c1-18-7-8(6-16-18)17-11(19)9-4-2-3-5-10(9)12(13,14)15/h6-7,9-10H,2-5H2,1H3,(H,17,19)
InChIKeyJLIRVBGQEDRVMA-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide
CID 51078639
2-acetamido-2-cyclopentyl-N-(1-methylpyrazol-4-yl)acetamide
CID 45817623
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-ethylpyrazol-4-yl)acetamide
CID 51114234
N-[(2S)-1-pyrazol-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 51727993
1-acetamido-N-(1-ethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 75416559
2-cyclopentyl-N-methyl-N-(1-methylpyrazol-4-yl)acetamide
CID 86768589
4-ethyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide
CID 99825420
(1S)-3,3-difluoro-N-(1-methylpyrazol-4-yl)cyclopentane-1-carboxamide
CID 164637617
(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide
CID 168936120
(2S)-2-(4,4-difluorocyclohexyl)-2-(iodosylamino)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide
CID 168936166
2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide
CID 169730976
tert-butyl N-[1-[3-(difluoromethyl)-4-formylcyclohexyl]pyrazol-4-yl]carbamate
CID 172632609

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 47327530) is N-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is Cn1cc(NC(=O)C2CCCCC2C(F)(F)F)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is JLIRVBGQEDRVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-18-7-8(6-16-18)17-11(19)9-4-2-3-5-10(9)12(13,14)15/h6-7,9-10H,2-5H2,1H3,(H,17,19).
What are the key properties of N-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 47327530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).