[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclohexyl] carbamate

C18H19N5O2 — CID 175468049

IUPAC[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclohexyl] carbamate
SMILESNC(=O)OC1CCCC(n2cc(-c3cnc4ccccc4n3)cn2)C1
InChIInChI=1S/C18H19N5O2/c19-18(24)25-14-5-3-4-13(8-14)23-11-12(9-21-23)17-10-20-15-6-1-2-7-16(15)22-17/h1-2,6-7,9-11,13-14H,3-5,8H2,(H2,19,24)
InChIKeyRSWZRABJVIZCLQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.07
Rot. Bonds3

About [3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclohexyl] carbamate

[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclohexyl] carbamate (PubChem CID 175468049) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is [3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclohexyl] carbamate.

Molecular Properties

Compound Name[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclohexyl] carbamate
PubChem CID175468049
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclohexyl] carbamate
SMILESNC(=O)OC1CCCC(n2cc(-c3cnc4ccccc4n3)cn2)C1
InChIInChI=1S/C18H19N5O2/c19-18(24)25-14-5-3-4-13(8-14)23-11-12(9-21-23)17-10-20-15-6-1-2-7-16(15)22-17/h1-2,6-7,9-11,13-14H,3-5,8H2,(H2,19,24)
InChIKeyRSWZRABJVIZCLQ-UHFFFAOYSA-N
XLogP3.07
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol
CID 169092645
2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline
CID 170778013
5-oxo-5-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]pentanamide
CID 175951072
[3-(aminomethyl)cyclobutyl]-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]methanone
CID 170778313
tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate
CID 169092427
2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline
CID 170778330
3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine
CID 170778255
3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]aniline
CID 166992967
2-[1-(3-but-3-ynylcyclobutyl)pyrazol-4-yl]quinoxaline
CID 169092637
3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]propanamide
CID 175468208
[2-[4-[4-(8-bromoquinoxalin-2-yl)pyrazol-1-yl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-yl] carbamate
CID 175468512
tert-butyl-dimethyl-[[3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]phenyl]methoxy]silane
CID 169092397

Frequently Asked Questions

What is the IUPAC name of [3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclohexyl] carbamate?
The IUPAC name of [3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclohexyl] carbamate (CID 175468049) is [3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclohexyl] carbamate.
What is the SMILES notation for [3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclohexyl] carbamate?
The canonical SMILES for [3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclohexyl] carbamate is NC(=O)OC1CCCC(n2cc(-c3cnc4ccccc4n3)cn2)C1.
What is the InChIKey of [3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclohexyl] carbamate?
The InChIKey is RSWZRABJVIZCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c19-18(24)25-14-5-3-4-13(8-14)23-11-12(9-21-23)17-10-20-15-6-1-2-7-16(15)22-17/h1-2,6-7,9-11,13-14H,3-5,8H2,(H2,19,24).
What are the key properties of [3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclohexyl] carbamate?
[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclohexyl] carbamate has a molecular weight of 337.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclohexyl] carbamate is sourced from PubChem (CID 175468049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).