N-(4-methyl-1H-pyrazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C13H20N4O — CID 104618960

IUPACN-(4-methyl-1H-pyrazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCc1cn[nH]c1NC(=O)C1CC2CCCCC2N1
InChIInChI=1S/C13H20N4O/c1-8-7-14-17-12(8)16-13(18)11-6-9-4-2-3-5-10(9)15-11/h7,9-11,15H,2-6H2,1H3,(H2,14,16,17,18)
InChIKeyOSVNLTCRDXLNQA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.58
Rot. Bonds2

About N-(4-methyl-1H-pyrazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-(4-methyl-1H-pyrazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 104618960) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(4-methyl-1H-pyrazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1H-pyrazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID104618960
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(4-methyl-1H-pyrazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCc1cn[nH]c1NC(=O)C1CC2CCCCC2N1
InChIInChI=1S/C13H20N4O/c1-8-7-14-17-12(8)16-13(18)11-6-9-4-2-3-5-10(9)15-11/h7,9-11,15H,2-6H2,1H3,(H2,14,16,17,18)
InChIKeyOSVNLTCRDXLNQA-UHFFFAOYSA-N
XLogP1.58
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(4-methyl-1H-pyrazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-(3-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119876308
N-(6-chloro-5-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 103796996
N-(5-bromo-4-methyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 79733920
N-(3,5-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119263211
N-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119292200
N-(4-methyl-1H-pyrazol-5-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 104620156
N-(6-methyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119827443
N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24699251
N-(4-chloro-2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119262288
N-(4-methoxy-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119868819
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119283991
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119321959

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 104618960) is N-(4-methyl-1H-pyrazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-methyl-1H-pyrazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-methyl-1H-pyrazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is Cc1cn[nH]c1NC(=O)C1CC2CCCCC2N1.
What is the InChIKey of N-(4-methyl-1H-pyrazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is OSVNLTCRDXLNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-8-7-14-17-12(8)16-13(18)11-6-9-4-2-3-5-10(9)15-11/h7,9-11,15H,2-6H2,1H3,(H2,14,16,17,18).
What are the key properties of N-(4-methyl-1H-pyrazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-(4-methyl-1H-pyrazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1H-pyrazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 104618960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).