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

C19H28ClN3O — CID 66665468

IUPAC1-[1-(1-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(OCc2ccccc2)n(C(C)C2CCCC2)n1.Cl
InChIInChI=1S/C19H27N3O.ClH/c1-15(17-10-6-7-11-17)22-19(12-18(21-22)13-20-2)23-14-16-8-4-3-5-9-16;/h3-5,8-9,12,15,17,20H,6-7,10-11,13-14H2,1-2H3;1H
InChIKeyXSQOCZSFMZYNGL-UHFFFAOYSA-N
MW349.91 g/mol
LogP4.35
Rot. Bonds7

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

1-[1-(1-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride (PubChem CID 66665468) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is 1-[1-(1-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(1-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride
PubChem CID66665468
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC Name1-[1-(1-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(OCc2ccccc2)n(C(C)C2CCCC2)n1.Cl
InChIInChI=1S/C19H27N3O.ClH/c1-15(17-10-6-7-11-17)22-19(12-18(21-22)13-20-2)23-14-16-8-4-3-5-9-16;/h3-5,8-9,12,15,17,20H,6-7,10-11,13-14H2,1-2H3;1H
InChIKeyXSQOCZSFMZYNGL-UHFFFAOYSA-N
XLogP4.35
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-(1-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride (CID 66665468) is 1-[1-(1-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(1-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-(1-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride is CNCc1cc(OCc2ccccc2)n(C(C)C2CCCC2)n1.Cl.
What is the InChIKey of 1-[1-(1-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is XSQOCZSFMZYNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O.ClH/c1-15(17-10-6-7-11-17)22-19(12-18(21-22)13-20-2)23-14-16-8-4-3-5-9-16;/h3-5,8-9,12,15,17,20H,6-7,10-11,13-14H2,1-2H3;1H.
What are the key properties of 1-[1-(1-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride?
1-[1-(1-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 349.91 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 66665468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).