3-(4-chloro-3-methylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide

C13H21ClN4O — CID 79637681

IUPAC3-(4-chloro-3-methylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(n2cc(Cl)c(C)n2)C1
InChIInChI=1S/C13H21ClN4O/c1-3-16-13(12(15)19)6-4-5-10(7-13)18-8-11(14)9(2)17-18/h8,10,16H,3-7H2,1-2H3,(H2,15,19)
InChIKeyFBWYPJUHDMOBJT-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.79
Rot. Bonds4

About 3-(4-chloro-3-methylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide

3-(4-chloro-3-methylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide (PubChem CID 79637681) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-(4-chloro-3-methylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-3-methylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
PubChem CID79637681
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name3-(4-chloro-3-methylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(n2cc(Cl)c(C)n2)C1
InChIInChI=1S/C13H21ClN4O/c1-3-16-13(12(15)19)6-4-5-10(7-13)18-8-11(14)9(2)17-18/h8,10,16H,3-7H2,1-2H3,(H2,15,19)
InChIKeyFBWYPJUHDMOBJT-UHFFFAOYSA-N
XLogP1.79
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79638065
3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclopentane-1-carboxamide
CID 79649186
3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79637461
methyl 3-(4-chloro-3-methylpyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carboxylate
CID 79634425
3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79628200
3-(4-chloropyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79637295
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 103538166
1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxamide
CID 79650892
3-(4-chloro-3-methylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79624947
1-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxamide
CID 79641725
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79637454
3-(4-chloro-3-methylpyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 79625016

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide (CID 79637681) is 3-(4-chloro-3-methylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(4-chloro-3-methylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(4-chloro-3-methylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide is CCNC1(C(N)=O)CCCC(n2cc(Cl)c(C)n2)C1.
What is the InChIKey of 3-(4-chloro-3-methylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide?
The InChIKey is FBWYPJUHDMOBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-3-16-13(12(15)19)6-4-5-10(7-13)18-8-11(14)9(2)17-18/h8,10,16H,3-7H2,1-2H3,(H2,15,19).
What are the key properties of 3-(4-chloro-3-methylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide?
3-(4-chloro-3-methylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide has a molecular weight of 284.79 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79637681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).