3-[3-[(4-methoxyphenyl)methylamino]propyl]-1-phenylpyrazol-5-amine;hydrochloride

C20H25ClN4O — CID 71933914

IUPAC3-[3-[(4-methoxyphenyl)methylamino]propyl]-1-phenylpyrazol-5-amine;hydrochloride
SMILESCOc1ccc(CNCCCc2cc(N)n(-c3ccccc3)n2)cc1.Cl
InChIInChI=1S/C20H24N4O.ClH/c1-25-19-11-9-16(10-12-19)15-22-13-5-6-17-14-20(21)24(23-17)18-7-3-2-4-8-18;/h2-4,7-12,14,22H,5-6,13,15,21H2,1H3;1H
InChIKeyWWYJDERJXVCYAB-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.61
Rot. Bonds8

About 3-[3-[(4-methoxyphenyl)methylamino]propyl]-1-phenylpyrazol-5-amine;hydrochloride

3-[3-[(4-methoxyphenyl)methylamino]propyl]-1-phenylpyrazol-5-amine;hydrochloride (PubChem CID 71933914) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-[3-[(4-methoxyphenyl)methylamino]propyl]-1-phenylpyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name3-[3-[(4-methoxyphenyl)methylamino]propyl]-1-phenylpyrazol-5-amine;hydrochloride
PubChem CID71933914
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name3-[3-[(4-methoxyphenyl)methylamino]propyl]-1-phenylpyrazol-5-amine;hydrochloride
SMILESCOc1ccc(CNCCCc2cc(N)n(-c3ccccc3)n2)cc1.Cl
InChIInChI=1S/C20H24N4O.ClH/c1-25-19-11-9-16(10-12-19)15-22-13-5-6-17-14-20(21)24(23-17)18-7-3-2-4-8-18;/h2-4,7-12,14,22H,5-6,13,15,21H2,1H3;1H
InChIKeyWWYJDERJXVCYAB-UHFFFAOYSA-N
XLogP3.61
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-[3-(pyridin-3-ylmethylamino)propyl]pyrazol-5-amine;hydrochloride
CID 71933909
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119890576
3-heptyl-1-phenylpyrazol-5-amine
CID 43336725
(2S)-2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-methylbutanamide;dihydrochloride
CID 119890552
1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide
CID 119890537
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methylamino)butanamide
CID 119890521
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120647153
(2S)-2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-methylbutanamide
CID 119890553
4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride
CID 120565710
(2S)-2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-methylpentanamide;dihydrochloride
CID 119890586
2-(4-methoxyphenyl)-N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride
CID 17212453
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-(methylamino)propanamide
CID 119890557

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methoxyphenyl)methylamino]propyl]-1-phenylpyrazol-5-amine;hydrochloride?
The IUPAC name of 3-[3-[(4-methoxyphenyl)methylamino]propyl]-1-phenylpyrazol-5-amine;hydrochloride (CID 71933914) is 3-[3-[(4-methoxyphenyl)methylamino]propyl]-1-phenylpyrazol-5-amine;hydrochloride.
What is the SMILES notation for 3-[3-[(4-methoxyphenyl)methylamino]propyl]-1-phenylpyrazol-5-amine;hydrochloride?
The canonical SMILES for 3-[3-[(4-methoxyphenyl)methylamino]propyl]-1-phenylpyrazol-5-amine;hydrochloride is COc1ccc(CNCCCc2cc(N)n(-c3ccccc3)n2)cc1.Cl.
What is the InChIKey of 3-[3-[(4-methoxyphenyl)methylamino]propyl]-1-phenylpyrazol-5-amine;hydrochloride?
The InChIKey is WWYJDERJXVCYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.ClH/c1-25-19-11-9-16(10-12-19)15-22-13-5-6-17-14-20(21)24(23-17)18-7-3-2-4-8-18;/h2-4,7-12,14,22H,5-6,13,15,21H2,1H3;1H.
What are the key properties of 3-[3-[(4-methoxyphenyl)methylamino]propyl]-1-phenylpyrazol-5-amine;hydrochloride?
3-[3-[(4-methoxyphenyl)methylamino]propyl]-1-phenylpyrazol-5-amine;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methoxyphenyl)methylamino]propyl]-1-phenylpyrazol-5-amine;hydrochloride is sourced from PubChem (CID 71933914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).