2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride

C15H22ClN3 — CID 126966390

IUPAC2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride
SMILESCCCn1cc(CNCCc2ccccc2)cn1.Cl
InChIInChI=1S/C15H21N3.ClH/c1-2-10-18-13-15(12-17-18)11-16-9-8-14-6-4-3-5-7-14;/h3-7,12-13,16H,2,8-11H2,1H3;1H
InChIKeyOKPBJGMJPWFOGN-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.05
Rot. Bonds7

About 2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride

2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride (PubChem CID 126966390) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride
PubChem CID126966390
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride
SMILESCCCn1cc(CNCCc2ccccc2)cn1.Cl
InChIInChI=1S/C15H21N3.ClH/c1-2-10-18-13-15(12-17-18)11-16-9-8-14-6-4-3-5-7-14;/h3-7,12-13,16H,2,8-11H2,1H3;1H
InChIKeyOKPBJGMJPWFOGN-UHFFFAOYSA-N
XLogP3.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830530
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-phenylethanamine
CID 122168597
N-[(1-methylpyrazol-4-yl)methyl]-2-phenylethanamine;hydrochloride
CID 126966836
N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine
CID 55134665
2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126965886
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
2-methoxy-N-[[1-(4-phenylbutyl)pyrazol-4-yl]methyl]ethanamine
CID 114334601
N-phenylmethoxy-1-(1-propylpyrazol-4-yl)methanamine
CID 103571612
3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126966218
(E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine
CID 115632420
N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120912684

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride (CID 126966390) is 2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride is CCCn1cc(CNCCc2ccccc2)cn1.Cl.
What is the InChIKey of 2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride?
The InChIKey is OKPBJGMJPWFOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3.ClH/c1-2-10-18-13-15(12-17-18)11-16-9-8-14-6-4-3-5-7-14;/h3-7,12-13,16H,2,8-11H2,1H3;1H.
What are the key properties of 2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride?
2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 126966390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).