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

C19H27N3O — CID 56600156

IUPAC1-[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1
InChIInChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3
InChIKeyKRMVDUWYWGAWOH-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.76
Rot. Bonds7

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

1-[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine (PubChem CID 56600156) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
PubChem CID56600156
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name1-[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1
InChIInChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3
InChIKeyKRMVDUWYWGAWOH-UHFFFAOYSA-N
XLogP3.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine (CID 56600156) is 1-[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine is CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1.
What is the InChIKey of 1-[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine?
The InChIKey is KRMVDUWYWGAWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3.
What are the key properties of 1-[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine?
1-[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine has a molecular weight of 313.44 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 56600156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).