N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine

C24H33N5 — CID 70748785

IUPACN-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
SMILESCc1nn(C)cc1CN(C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C24H33N5/c1-18-22(16-28(3)25-18)14-27(2)15-23-17-29(4)26-24(23)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h10-13,16-17,19H,5-9,14-15H2,1-4H3
InChIKeyCUVQFBBYAZDHMJ-UHFFFAOYSA-N
MW391.56 g/mol
LogP4.81
Rot. Bonds6

About N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine

N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 70748785) has the molecular formula C24H33N5 and a molecular weight of 391.56 g/mol. Its IUPAC name is N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
PubChem CID70748785
Molecular FormulaC24H33N5
Molecular Weight391.56 g/mol
Exact Mass391.27
IUPAC NameN-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
SMILESCc1nn(C)cc1CN(C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C24H33N5/c1-18-22(16-28(3)25-18)14-27(2)15-23-17-29(4)26-24(23)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h10-13,16-17,19H,5-9,14-15H2,1-4H3
InChIKeyCUVQFBBYAZDHMJ-UHFFFAOYSA-N
XLogP4.81
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine (CID 70748785) is N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine is Cc1nn(C)cc1CN(C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is CUVQFBBYAZDHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5/c1-18-22(16-28(3)25-18)14-27(2)15-23-17-29(4)26-24(23)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h10-13,16-17,19H,5-9,14-15H2,1-4H3.
What are the key properties of N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine?
N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 391.56 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 70748785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).