4-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine

C17H25N3 — CID 62770469

IUPAC4-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine
SMILESCCCNCCCC(C)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C17H25N3/c1-3-11-18-12-7-8-15(2)20-14-17(13-19-20)16-9-5-4-6-10-16/h4-6,9-10,13-15,18H,3,7-8,11-12H2,1-2H3
InChIKeyFQEBWMQZGMTYGF-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.89
Rot. Bonds8

About 4-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine

4-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine (PubChem CID 62770469) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine
PubChem CID62770469
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine
SMILESCCCNCCCC(C)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C17H25N3/c1-3-11-18-12-7-8-15(2)20-14-17(13-19-20)16-9-5-4-6-10-16/h4-6,9-10,13-15,18H,3,7-8,11-12H2,1-2H3
InChIKeyFQEBWMQZGMTYGF-UHFFFAOYSA-N
XLogP3.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.89
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

(2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide
CID 100830723
5-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine
CID 62771348
4-(4-phenylpyrazol-1-yl)pentanoic acid
CID 62772191
N-[2-(4-phenylpyrazol-1-yl)propyl]pentan-3-amine
CID 62769940
N-[2-(4-phenylpyrazol-1-yl)propyl]aniline
CID 62770649
N-ethyl-2-(4-phenylpyrazol-1-yl)butan-1-amine
CID 62769580
4-(benzotriazol-1-yl)-N-propylpentan-1-amine
CID 62448554
1-(4-phenylpyrazol-1-yl)-3-(propylamino)propan-2-ol
CID 62770090
N,2-dimethyl-3-(4-phenylpyrazol-1-yl)butan-1-amine
CID 79409847
N'-hydroxy-3-(4-phenylpyrazol-1-yl)butanimidamide
CID 76948885
3-methyl-2-(4-phenylpyrazol-1-yl)butanoic acid
CID 62771313
4-(4-bromopyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62442513

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine?
The IUPAC name of 4-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine (CID 62770469) is 4-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 4-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine?
The canonical SMILES for 4-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine is CCCNCCCC(C)n1cc(-c2ccccc2)cn1.
What is the InChIKey of 4-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine?
The InChIKey is FQEBWMQZGMTYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-11-18-12-7-8-15(2)20-14-17(13-19-20)16-9-5-4-6-10-16/h4-6,9-10,13-15,18H,3,7-8,11-12H2,1-2H3.
What are the key properties of 4-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine?
4-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 62770469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).