N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)cyclohexanecarboxamide

C15H23N3O — CID 139801514

IUPACN-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)cyclohexanecarboxamide
SMILESCn1nc2c(c1NC(=O)C1CCCCC1)CCCC2
InChIInChI=1S/C15H23N3O/c1-18-14(12-9-5-6-10-13(12)17-18)16-15(19)11-7-3-2-4-8-11/h11H,2-10H2,1H3,(H,16,19)
InChIKeyDUKNBSZWSIHSDG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.82
Rot. Bonds2

About N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)cyclohexanecarboxamide

N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)cyclohexanecarboxamide (PubChem CID 139801514) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)cyclohexanecarboxamide
PubChem CID139801514
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)cyclohexanecarboxamide
SMILESCn1nc2c(c1NC(=O)C1CCCCC1)CCCC2
InChIInChI=1S/C15H23N3O/c1-18-14(12-9-5-6-10-13(12)17-18)16-15(19)11-7-3-2-4-8-11/h11H,2-10H2,1H3,(H,16,19)
InChIKeyDUKNBSZWSIHSDG-UHFFFAOYSA-N
XLogP2.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dimethyl-3,4,6,7,8,9-hexahydropyrazolo[3,4-c]isoquinolin-5-one
CID 135512456
3,5-Dimethyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135621700
(2S)-2-amino-2-cyclohexyl-N-(3,4-diethyl-1-methyl-1H-pyrazol-5-yl)acetamide hydrochloride
CID 132418130
N-cyclohexyl-N'-(3-ethyl-1,4-dimethyl-1H-pyrazol-5-yl)-N-methylsuccinamide
CID 134712989
cis-(1R,2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 164638763
N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide
CID 169169294
2-(2,2-difluorocyclopropyl)-N-[3-(4,4-difluoropentan-2-yl)-1,4-dimethylpyrazol-5-yl]acetamide
CID 169169420
N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 169169449
N-[4-cyclobutyl-3-(cyclohexylmethyl)-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 169169494
N-(4-cyclobutyl-5-cyclohexyl-1-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide
CID 169169666
2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]acetamide
CID 170136807
N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]-2-(2,2-difluorocyclopropyl)acetamide
CID 170136808

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)cyclohexanecarboxamide (CID 139801514) is N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)cyclohexanecarboxamide is Cn1nc2c(c1NC(=O)C1CCCCC1)CCCC2.
What is the InChIKey of N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)cyclohexanecarboxamide?
The InChIKey is DUKNBSZWSIHSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18-14(12-9-5-6-10-13(12)17-18)16-15(19)11-7-3-2-4-8-11/h11H,2-10H2,1H3,(H,16,19).
What are the key properties of N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)cyclohexanecarboxamide?
N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)cyclohexanecarboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 139801514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).