N-methyl-1-[5-phenylmethoxy-1-(3-phenylpropyl)pyrazol-3-yl]methanamine

C21H25N3O — CID 66665232

IUPACN-methyl-1-[5-phenylmethoxy-1-(3-phenylpropyl)pyrazol-3-yl]methanamine
SMILESCNCc1cc(OCc2ccccc2)n(CCCc2ccccc2)n1
InChIInChI=1S/C21H25N3O/c1-22-16-20-15-21(25-17-19-11-6-3-7-12-19)24(23-20)14-8-13-18-9-4-2-5-10-18/h2-7,9-12,15,22H,8,13-14,16-17H2,1H3
InChIKeyCHMTXDASNUQMJU-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.81
Rot. Bonds9

About N-methyl-1-[5-phenylmethoxy-1-(3-phenylpropyl)pyrazol-3-yl]methanamine

N-methyl-1-[5-phenylmethoxy-1-(3-phenylpropyl)pyrazol-3-yl]methanamine (PubChem CID 66665232) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-methyl-1-[5-phenylmethoxy-1-(3-phenylpropyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-phenylmethoxy-1-(3-phenylpropyl)pyrazol-3-yl]methanamine
PubChem CID66665232
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-methyl-1-[5-phenylmethoxy-1-(3-phenylpropyl)pyrazol-3-yl]methanamine
SMILESCNCc1cc(OCc2ccccc2)n(CCCc2ccccc2)n1
InChIInChI=1S/C21H25N3O/c1-22-16-20-15-21(25-17-19-11-6-3-7-12-19)24(23-20)14-8-13-18-9-4-2-5-10-18/h2-7,9-12,15,22H,8,13-14,16-17H2,1H3
InChIKeyCHMTXDASNUQMJU-UHFFFAOYSA-N
XLogP3.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-phenylmethoxy-1-(3-phenylpropyl)pyrazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-phenylmethoxy-1-(3-phenylpropyl)pyrazol-3-yl]methanamine (CID 66665232) is N-methyl-1-[5-phenylmethoxy-1-(3-phenylpropyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-phenylmethoxy-1-(3-phenylpropyl)pyrazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-phenylmethoxy-1-(3-phenylpropyl)pyrazol-3-yl]methanamine is CNCc1cc(OCc2ccccc2)n(CCCc2ccccc2)n1.
What is the InChIKey of N-methyl-1-[5-phenylmethoxy-1-(3-phenylpropyl)pyrazol-3-yl]methanamine?
The InChIKey is CHMTXDASNUQMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-22-16-20-15-21(25-17-19-11-6-3-7-12-19)24(23-20)14-8-13-18-9-4-2-5-10-18/h2-7,9-12,15,22H,8,13-14,16-17H2,1H3.
What are the key properties of N-methyl-1-[5-phenylmethoxy-1-(3-phenylpropyl)pyrazol-3-yl]methanamine?
N-methyl-1-[5-phenylmethoxy-1-(3-phenylpropyl)pyrazol-3-yl]methanamine has a molecular weight of 335.45 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-phenylmethoxy-1-(3-phenylpropyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 66665232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).