1-[1-(2-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine

C19H27N3O — CID 66665432

IUPAC1-[1-(2-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccccc2)n(CCC2CCCC2)n1
InChIInChI=1S/C19H27N3O/c1-20-14-18-13-19(23-15-17-9-3-2-4-10-17)22(21-18)12-11-16-7-5-6-8-16/h2-4,9-10,13,16,20H,5-8,11-12,14-15H2,1H3
InChIKeyBZZQBKFMTJPRQX-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.76
Rot. Bonds8

About 1-[1-(2-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine

1-[1-(2-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine (PubChem CID 66665432) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-[1-(2-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
PubChem CID66665432
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name1-[1-(2-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccccc2)n(CCC2CCCC2)n1
InChIInChI=1S/C19H27N3O/c1-20-14-18-13-19(23-15-17-9-3-2-4-10-17)22(21-18)12-11-16-7-5-6-8-16/h2-4,9-10,13,16,20H,5-8,11-12,14-15H2,1H3
InChIKeyBZZQBKFMTJPRQX-UHFFFAOYSA-N
XLogP3.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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-(2-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine (CID 66665432) is 1-[1-(2-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine is CNCc1cc(OCc2ccccc2)n(CCC2CCCC2)n1.
What is the InChIKey of 1-[1-(2-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine?
The InChIKey is BZZQBKFMTJPRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-20-14-18-13-19(23-15-17-9-3-2-4-10-17)22(21-18)12-11-16-7-5-6-8-16/h2-4,9-10,13,16,20H,5-8,11-12,14-15H2,1H3.
What are the key properties of 1-[1-(2-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine?
1-[1-(2-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine has a molecular weight of 313.44 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66665432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).