6-[4-(8-methylquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid

C19H23N5O2 — CID 174190296

IUPAC6-[4-(8-methylquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid
SMILESCc1cccc2ncc(-c3cnn(CCCCCCNC(=O)O)c3)nc12
InChIInChI=1S/C19H23N5O2/c1-14-7-6-8-16-18(14)23-17(12-21-16)15-11-22-24(13-15)10-5-3-2-4-9-20-19(25)26/h6-8,11-13,20H,2-5,9-10H2,1H3,(H,25,26)
InChIKeyHXHMTJVQZKHFJS-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.63
Rot. Bonds8

About 6-[4-(8-methylquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid

6-[4-(8-methylquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid (PubChem CID 174190296) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-[4-(8-methylquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid.

Molecular Properties

Compound Name6-[4-(8-methylquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid
PubChem CID174190296
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name6-[4-(8-methylquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid
SMILESCc1cccc2ncc(-c3cnn(CCCCCCNC(=O)O)c3)nc12
InChIInChI=1S/C19H23N5O2/c1-14-7-6-8-16-18(14)23-17(12-21-16)15-11-22-24(13-15)10-5-3-2-4-9-20-19(25)26/h6-8,11-13,20H,2-5,9-10H2,1H3,(H,25,26)
InChIKeyHXHMTJVQZKHFJS-UHFFFAOYSA-N
XLogP3.63
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-[8-(oxan-4-yl)quinoxalin-2-yl]pyrazol-1-yl]hexylcarbamic acid
CID 174190304
tert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate
CID 170778380
6-[4-(8-chloroquinoxalin-2-yl)pyrazol-1-yl]hexan-1-amine
CID 170778147
2-(2,6-dioxopiperidin-3-yl)-5-[6-[4-(8-methoxyquinoxalin-2-yl)pyrazol-1-yl]hexylamino]isoindole-1,3-dione
CID 170548278
N-(2-aminophenyl)-5-(4-quinoxalin-2-ylpyrazol-1-yl)pentanamide
CID 175695211
2-(2,6-dioxopiperidin-3-yl)-5-[5-(4-quinoxalin-2-ylpyrazol-1-yl)pentylamino]isoindole-1,3-dione
CID 166994030
1-[propyl-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]amino]ethanol
CID 166993484
8-methyl-2-(1H-pyrazol-4-yl)quinoxaline
CID 163237562
5-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine
CID 62771348
4-(8-bromoquinoxalin-2-yl)-N-(2-hydroxyethyl)-2-methylbenzamide
CID 67541006
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide
CID 91834868
5-(2-methyl-4,5-diphenylimidazol-1-yl)pentylcarbamic acid
CID 18537524

Frequently Asked Questions

What is the IUPAC name of 6-[4-(8-methylquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid?
The IUPAC name of 6-[4-(8-methylquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid (CID 174190296) is 6-[4-(8-methylquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid.
What is the SMILES notation for 6-[4-(8-methylquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid?
The canonical SMILES for 6-[4-(8-methylquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid is Cc1cccc2ncc(-c3cnn(CCCCCCNC(=O)O)c3)nc12.
What is the InChIKey of 6-[4-(8-methylquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid?
The InChIKey is HXHMTJVQZKHFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14-7-6-8-16-18(14)23-17(12-21-16)15-11-22-24(13-15)10-5-3-2-4-9-20-19(25)26/h6-8,11-13,20H,2-5,9-10H2,1H3,(H,25,26).
What are the key properties of 6-[4-(8-methylquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid?
6-[4-(8-methylquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid has a molecular weight of 353.43 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(8-methylquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid is sourced from PubChem (CID 174190296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).