N-(1H-pyrazol-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

C14H22N4O — CID 66471590

IUPACN-(1H-pyrazol-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESO=C(NCc1cn[nH]c1)C1CCC2CCCCC2N1
InChIInChI=1S/C14H22N4O/c19-14(15-7-10-8-16-17-9-10)13-6-5-11-3-1-2-4-12(11)18-13/h8-9,11-13,18H,1-7H2,(H,15,19)(H,16,17)
InChIKeyHUJIQVLINQKBTM-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.34
Rot. Bonds3

About N-(1H-pyrazol-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

N-(1H-pyrazol-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (PubChem CID 66471590) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
PubChem CID66471590
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(1H-pyrazol-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESO=C(NCc1cn[nH]c1)C1CCC2CCCCC2N1
InChIInChI=1S/C14H22N4O/c19-14(15-7-10-8-16-17-9-10)13-6-5-11-3-1-2-4-12(11)18-13/h8-9,11-13,18H,1-7H2,(H,15,19)(H,16,17)
InChIKeyHUJIQVLINQKBTM-UHFFFAOYSA-N
XLogP1.34
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(1H-pyrazol-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471787
2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 61004650
2-amino-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 64822050
N-(1H-pyrazol-4-ylmethyl)thiane-2-carboxamide
CID 80595279
N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470805
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471579
N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide
CID 61000741
N-(2-propan-2-yloxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 104761117
N-(1H-pyrazol-4-ylmethyl)piperidine-3-carboxamide
CID 61000515
N-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119304104
2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide
CID 60736218
N-(2,2-dimethoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471192

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (CID 66471590) is N-(1H-pyrazol-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is O=C(NCc1cn[nH]c1)C1CCC2CCCCC2N1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The InChIKey is HUJIQVLINQKBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-14(15-7-10-8-16-17-9-10)13-6-5-11-3-1-2-4-12(11)18-13/h8-9,11-13,18H,1-7H2,(H,15,19)(H,16,17).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
N-(1H-pyrazol-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is sourced from PubChem (CID 66471590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).