N-(3-cyclohexyl-1-methylpyrazol-5-yl)-4-oxo-1H-cinnoline-3-carboxamide

C19H21N5O2 — CID 126785760

IUPACN-(3-cyclohexyl-1-methylpyrazol-5-yl)-4-oxo-1H-cinnoline-3-carboxamide
SMILESCn1nc(C2CCCCC2)cc1NC(=O)c1n[nH]c2ccccc2c1=O
InChIInChI=1S/C19H21N5O2/c1-24-16(11-15(23-24)12-7-3-2-4-8-12)20-19(26)17-18(25)13-9-5-6-10-14(13)21-22-17/h5-6,9-12H,2-4,7-8H2,1H3,(H,20,26)(H,21,25)
InChIKeyHLVPUMTUKDPCBU-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.96
Rot. Bonds3

About N-(3-cyclohexyl-1-methylpyrazol-5-yl)-4-oxo-1H-cinnoline-3-carboxamide

N-(3-cyclohexyl-1-methylpyrazol-5-yl)-4-oxo-1H-cinnoline-3-carboxamide (PubChem CID 126785760) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(3-cyclohexyl-1-methylpyrazol-5-yl)-4-oxo-1H-cinnoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-1-methylpyrazol-5-yl)-4-oxo-1H-cinnoline-3-carboxamide
PubChem CID126785760
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-(3-cyclohexyl-1-methylpyrazol-5-yl)-4-oxo-1H-cinnoline-3-carboxamide
SMILESCn1nc(C2CCCCC2)cc1NC(=O)c1n[nH]c2ccccc2c1=O
InChIInChI=1S/C19H21N5O2/c1-24-16(11-15(23-24)12-7-3-2-4-8-12)20-19(26)17-18(25)13-9-5-6-10-14(13)21-22-17/h5-6,9-12H,2-4,7-8H2,1H3,(H,20,26)(H,21,25)
InChIKeyHLVPUMTUKDPCBU-UHFFFAOYSA-N
XLogP2.96
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-cyclohexyl-1-methylpyrazol-5-yl)-4-oxo-1H-cinnoline-3-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-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-fluorobenzamide
CID 134798522
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1H-indazole-3-carboxamide
CID 29182775
N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1H-indazole-3-carboxamide
CID 49217845
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxo-1H-cinnoline-3-carboxamide
CID 21241423
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-phenylacetamide
CID 134799695
N-(3-cyclohexyl-1-methylpyrazol-5-yl)piperidine-4-carboxamide
CID 119337707
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 91529109
(2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide
CID 119337699
N-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide
CID 21241368
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-5-hydroxypyridine-3-carboxamide
CID 75484361
3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide
CID 120611478
N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide
CID 71968697

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-1-methylpyrazol-5-yl)-4-oxo-1H-cinnoline-3-carboxamide?
The IUPAC name of N-(3-cyclohexyl-1-methylpyrazol-5-yl)-4-oxo-1H-cinnoline-3-carboxamide (CID 126785760) is N-(3-cyclohexyl-1-methylpyrazol-5-yl)-4-oxo-1H-cinnoline-3-carboxamide.
What is the SMILES notation for N-(3-cyclohexyl-1-methylpyrazol-5-yl)-4-oxo-1H-cinnoline-3-carboxamide?
The canonical SMILES for N-(3-cyclohexyl-1-methylpyrazol-5-yl)-4-oxo-1H-cinnoline-3-carboxamide is Cn1nc(C2CCCCC2)cc1NC(=O)c1n[nH]c2ccccc2c1=O.
What is the InChIKey of N-(3-cyclohexyl-1-methylpyrazol-5-yl)-4-oxo-1H-cinnoline-3-carboxamide?
The InChIKey is HLVPUMTUKDPCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-24-16(11-15(23-24)12-7-3-2-4-8-12)20-19(26)17-18(25)13-9-5-6-10-14(13)21-22-17/h5-6,9-12H,2-4,7-8H2,1H3,(H,20,26)(H,21,25).
What are the key properties of N-(3-cyclohexyl-1-methylpyrazol-5-yl)-4-oxo-1H-cinnoline-3-carboxamide?
N-(3-cyclohexyl-1-methylpyrazol-5-yl)-4-oxo-1H-cinnoline-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-1-methylpyrazol-5-yl)-4-oxo-1H-cinnoline-3-carboxamide is sourced from PubChem (CID 126785760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).