N'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine

C19H22N4 — CID 166195819

IUPACN'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine
SMILESc1ccc(NCCCNCc2cn[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C19H22N4/c1-3-8-16(9-4-1)19-17(15-22-23-19)14-20-12-7-13-21-18-10-5-2-6-11-18/h1-6,8-11,15,20-21H,7,12-14H2,(H,22,23)
InChIKeyAUKVUSIFJQELNE-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.67
Rot. Bonds8

About N'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine

N'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 166195819) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is N'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine
PubChem CID166195819
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC NameN'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine
SMILESc1ccc(NCCCNCc2cn[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C19H22N4/c1-3-8-16(9-4-1)19-17(15-22-23-19)14-20-12-7-13-21-18-10-5-2-6-11-18/h1-6,8-11,15,20-21H,7,12-14H2,(H,22,23)
InChIKeyAUKVUSIFJQELNE-UHFFFAOYSA-N
XLogP3.67
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60662974
2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 103643047
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4590247
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N'-(5-methyl-2-pyridinyl)propane-1,3-diamine
CID 131926386
ethyl 4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]butanoate
CID 64578922
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylmethanamine
CID 60662763
3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 56807387
N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-2-(1H-pyrazol-4-yl)ethanamine
CID 31054586
2-[(R)-benzylsulfinyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 95341788
2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 115616849
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylbutan-1-amine
CID 46990222

Frequently Asked Questions

What is the IUPAC name of N'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine (CID 166195819) is N'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine is c1ccc(NCCCNCc2cn[nH]c2-c2ccccc2)cc1.
What is the InChIKey of N'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is AUKVUSIFJQELNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-3-8-16(9-4-1)19-17(15-22-23-19)14-20-12-7-13-21-18-10-5-2-6-11-18/h1-6,8-11,15,20-21H,7,12-14H2,(H,22,23).
What are the key properties of N'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine?
N'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 306.41 g/mol, XLogP of 3.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 166195819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).