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

C14H22N4O — CID 61461180

IUPACN-(2-pyrazol-1-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(NCCn1cccn1)C1CC2CCCCC2N1
InChIInChI=1S/C14H22N4O/c19-14(15-7-9-18-8-3-6-16-18)13-10-11-4-1-2-5-12(11)17-13/h3,6,8,11-13,17H,1-2,4-5,7,9-10H2,(H,15,19)
InChIKeyDOTMMBVLHQNNKI-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.92
Rot. Bonds4

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

N-(2-pyrazol-1-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 61461180) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID61461180
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(2-pyrazol-1-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(NCCn1cccn1)C1CC2CCCCC2N1
InChIInChI=1S/C14H22N4O/c19-14(15-7-9-18-8-3-6-16-18)13-10-11-4-1-2-5-12(11)17-13/h3,6,8,11-13,17H,1-2,4-5,7,9-10H2,(H,15,19)
InChIKeyDOTMMBVLHQNNKI-UHFFFAOYSA-N
XLogP0.92
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119291279
N-(2-pyrazol-1-ylethyl)azepane-2-carboxamide
CID 64562287
N-[(4-pyrazol-1-ylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119290424
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119851073
cis-(1R,2S)-2-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 39854491
N-[4-(pyridin-2-ylamino)butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119874683
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 80682620
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119835395
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 63330423
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119293840
N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 63227285
N-(3-cyclopentylpropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 103795254

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-(2-pyrazol-1-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 61461180) is N-(2-pyrazol-1-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-pyrazol-1-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-pyrazol-1-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is O=C(NCCn1cccn1)C1CC2CCCCC2N1.
What is the InChIKey of N-(2-pyrazol-1-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is DOTMMBVLHQNNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-14(15-7-9-18-8-3-6-16-18)13-10-11-4-1-2-5-12(11)17-13/h3,6,8,11-13,17H,1-2,4-5,7,9-10H2,(H,15,19).
What are the key properties of N-(2-pyrazol-1-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-(2-pyrazol-1-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61461180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).