N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyloxolan-3-amine

C22H31N3O — CID 45241479

IUPACN-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyloxolan-3-amine
SMILESCN(Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1)C1CCOC1
InChIInChI=1S/C22H31N3O/c1-24(21-12-13-26-16-21)14-20-15-25(2)23-22(20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h8-11,15,17,21H,3-7,12-14,16H2,1-2H3
InChIKeyNZWCMQMTDCWBSN-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.36
Rot. Bonds5

About N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyloxolan-3-amine

N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyloxolan-3-amine (PubChem CID 45241479) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyloxolan-3-amine
PubChem CID45241479
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyloxolan-3-amine
SMILESCN(Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1)C1CCOC1
InChIInChI=1S/C22H31N3O/c1-24(21-12-13-26-16-21)14-20-15-25(2)23-22(20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h8-11,15,17,21H,3-7,12-14,16H2,1-2H3
InChIKeyNZWCMQMTDCWBSN-UHFFFAOYSA-N
XLogP4.36
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyloxolan-3-amine (CID 45241479) is N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyloxolan-3-amine is CN(Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1)C1CCOC1.
What is the InChIKey of N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyloxolan-3-amine?
The InChIKey is NZWCMQMTDCWBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-24(21-12-13-26-16-21)14-20-15-25(2)23-22(20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h8-11,15,17,21H,3-7,12-14,16H2,1-2H3.
What are the key properties of N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyloxolan-3-amine?
N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyloxolan-3-amine has a molecular weight of 353.51 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 45241479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).