1-[1-(1-cyclohexylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine

C20H29N3O — CID 66665153

IUPAC1-[1-(1-cyclohexylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccccc2)n(C(C)C2CCCCC2)n1
InChIInChI=1S/C20H29N3O/c1-16(18-11-7-4-8-12-18)23-20(13-19(22-23)14-21-2)24-15-17-9-5-3-6-10-17/h3,5-6,9-10,13,16,18,21H,4,7-8,11-12,14-15H2,1-2H3
InChIKeyVJMQDMNOAYAQQU-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.32
Rot. Bonds7

About 1-[1-(1-cyclohexylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine

1-[1-(1-cyclohexylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine (PubChem CID 66665153) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-[1-(1-cyclohexylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(1-cyclohexylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
PubChem CID66665153
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name1-[1-(1-cyclohexylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccccc2)n(C(C)C2CCCCC2)n1
InChIInChI=1S/C20H29N3O/c1-16(18-11-7-4-8-12-18)23-20(13-19(22-23)14-21-2)24-15-17-9-5-3-6-10-17/h3,5-6,9-10,13,16,18,21H,4,7-8,11-12,14-15H2,1-2H3
InChIKeyVJMQDMNOAYAQQU-UHFFFAOYSA-N
XLogP4.32
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclohexylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(1-cyclohexylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine (CID 66665153) is 1-[1-(1-cyclohexylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(1-cyclohexylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(1-cyclohexylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine is CNCc1cc(OCc2ccccc2)n(C(C)C2CCCCC2)n1.
What is the InChIKey of 1-[1-(1-cyclohexylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine?
The InChIKey is VJMQDMNOAYAQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-16(18-11-7-4-8-12-18)23-20(13-19(22-23)14-21-2)24-15-17-9-5-3-6-10-17/h3,5-6,9-10,13,16,18,21H,4,7-8,11-12,14-15H2,1-2H3.
What are the key properties of 1-[1-(1-cyclohexylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine?
1-[1-(1-cyclohexylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine has a molecular weight of 327.47 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclohexylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66665153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).