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

C18H25N3O — CID 66665075

IUPAC1-[1-(cyclopentylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccccc2)n(CC2CCCC2)n1
InChIInChI=1S/C18H25N3O/c1-19-12-17-11-18(22-14-16-9-3-2-4-10-16)21(20-17)13-15-7-5-6-8-15/h2-4,9-11,15,19H,5-8,12-14H2,1H3
InChIKeySWMRLZXOTSJZEE-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.37
Rot. Bonds7

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

1-[1-(cyclopentylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine (PubChem CID 66665075) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
PubChem CID66665075
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-[1-(cyclopentylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccccc2)n(CC2CCCC2)n1
InChIInChI=1S/C18H25N3O/c1-19-12-17-11-18(22-14-16-9-3-2-4-10-16)21(20-17)13-15-7-5-6-8-15/h2-4,9-11,15,19H,5-8,12-14H2,1H3
InChIKeySWMRLZXOTSJZEE-UHFFFAOYSA-N
XLogP3.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(cyclopentylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine (CID 66665075) is 1-[1-(cyclopentylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(cyclopentylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine is CNCc1cc(OCc2ccccc2)n(CC2CCCC2)n1.
What is the InChIKey of 1-[1-(cyclopentylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine?
The InChIKey is SWMRLZXOTSJZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-19-12-17-11-18(22-14-16-9-3-2-4-10-16)21(20-17)13-15-7-5-6-8-15/h2-4,9-11,15,19H,5-8,12-14H2,1H3.
What are the key properties of 1-[1-(cyclopentylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine?
1-[1-(cyclopentylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine has a molecular weight of 299.42 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66665075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).