[5-methyl-2-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]pyrazol-3-yl] N-cyclohexylcarbamate

C24H34N4O3 — CID 67415717

IUPAC[5-methyl-2-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]pyrazol-3-yl] N-cyclohexylcarbamate
SMILESCc1cc(OC(=O)NC2CCCCC2)n(-c2ccc(OCCC3CCCN3C)cc2)n1
InChIInChI=1S/C24H34N4O3/c1-18-17-23(31-24(29)25-19-7-4-3-5-8-19)28(26-18)21-10-12-22(13-11-21)30-16-14-20-9-6-15-27(20)2/h10-13,17,19-20H,3-9,14-16H2,1-2H3,(H,25,29)
InChIKeyNHOQZSJOAZKQEV-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.46
Rot. Bonds7

About [5-methyl-2-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]pyrazol-3-yl] N-cyclohexylcarbamate

[5-methyl-2-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]pyrazol-3-yl] N-cyclohexylcarbamate (PubChem CID 67415717) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is [5-methyl-2-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]pyrazol-3-yl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[5-methyl-2-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]pyrazol-3-yl] N-cyclohexylcarbamate
PubChem CID67415717
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name[5-methyl-2-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]pyrazol-3-yl] N-cyclohexylcarbamate
SMILESCc1cc(OC(=O)NC2CCCCC2)n(-c2ccc(OCCC3CCCN3C)cc2)n1
InChIInChI=1S/C24H34N4O3/c1-18-17-23(31-24(29)25-19-7-4-3-5-8-19)28(26-18)21-10-12-22(13-11-21)30-16-14-20-9-6-15-27(20)2/h10-13,17,19-20H,3-9,14-16H2,1-2H3,(H,25,29)
InChIKeyNHOQZSJOAZKQEV-UHFFFAOYSA-N
XLogP4.46
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-3-yl] N-cyclohexylcarbamate
CID 67416121
N-cyclohexyl-5-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazole-3-carboxamide
CID 24783028
1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 61100979
2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 54248259
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 61102124
3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 102823660
1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 79168162
3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 107913129
2-(1-methylpiperidin-2-yl)ethyl 2-(4-aminophenoxy)acetate
CID 107913305
4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol
CID 107912801
N-cyclohexyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862165

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]pyrazol-3-yl] N-cyclohexylcarbamate?
The IUPAC name of [5-methyl-2-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]pyrazol-3-yl] N-cyclohexylcarbamate (CID 67415717) is [5-methyl-2-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]pyrazol-3-yl] N-cyclohexylcarbamate.
What is the SMILES notation for [5-methyl-2-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]pyrazol-3-yl] N-cyclohexylcarbamate?
The canonical SMILES for [5-methyl-2-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]pyrazol-3-yl] N-cyclohexylcarbamate is Cc1cc(OC(=O)NC2CCCCC2)n(-c2ccc(OCCC3CCCN3C)cc2)n1.
What is the InChIKey of [5-methyl-2-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]pyrazol-3-yl] N-cyclohexylcarbamate?
The InChIKey is NHOQZSJOAZKQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-18-17-23(31-24(29)25-19-7-4-3-5-8-19)28(26-18)21-10-12-22(13-11-21)30-16-14-20-9-6-15-27(20)2/h10-13,17,19-20H,3-9,14-16H2,1-2H3,(H,25,29).
What are the key properties of [5-methyl-2-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]pyrazol-3-yl] N-cyclohexylcarbamate?
[5-methyl-2-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]pyrazol-3-yl] N-cyclohexylcarbamate has a molecular weight of 426.56 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]pyrazol-3-yl] N-cyclohexylcarbamate is sourced from PubChem (CID 67415717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).