[4-(5-heptyl-1H-pyrazol-3-yl)phenyl]methanamine

C17H25N3 — CID 58507099

IUPAC[4-(5-heptyl-1H-pyrazol-3-yl)phenyl]methanamine
SMILESCCCCCCCc1cc(-c2ccc(CN)cc2)n[nH]1
InChIInChI=1S/C17H25N3/c1-2-3-4-5-6-7-16-12-17(20-19-16)15-10-8-14(13-18)9-11-15/h8-12H,2-7,13,18H2,1H3,(H,19,20)
InChIKeyFFUGDUJLEOMXGM-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.05
Rot. Bonds8

About [4-(5-heptyl-1H-pyrazol-3-yl)phenyl]methanamine

[4-(5-heptyl-1H-pyrazol-3-yl)phenyl]methanamine (PubChem CID 58507099) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is [4-(5-heptyl-1H-pyrazol-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-heptyl-1H-pyrazol-3-yl)phenyl]methanamine
PubChem CID58507099
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name[4-(5-heptyl-1H-pyrazol-3-yl)phenyl]methanamine
SMILESCCCCCCCc1cc(-c2ccc(CN)cc2)n[nH]1
InChIInChI=1S/C17H25N3/c1-2-3-4-5-6-7-16-12-17(20-19-16)15-10-8-14(13-18)9-11-15/h8-12H,2-7,13,18H2,1H3,(H,19,20)
InChIKeyFFUGDUJLEOMXGM-UHFFFAOYSA-N
XLogP4.05
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(5-methyl-1H-pyrazol-3-yl)phenyl]methanamine
CID 82468594
4-(5-heptyl-1H-pyrazol-3-yl)benzonitrile;[4-(5-heptyl-1H-pyrazol-3-yl)phenyl]methanamine;methane;4-methoxybenzonitrile;non-1-yne
CID 160581261
3,5-didecyl-1H-pyrazole
CID 139785529
[4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine
CID 150718553
3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-ol
CID 12517384
[3-(4-methylsulfanylphenyl)-1H-pyrazol-5-yl]methanamine
CID 82472441
[4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine
CID 102625963
(3,5-dihexylphenyl)methanamine
CID 174558763
N-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62113323
2-fluoro-6-(4-heptylphenyl)pyridine
CID 18172851
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
[4-[2-(4-hexylphenyl)ethynyl]phenyl]methanamine
CID 150614659

Frequently Asked Questions

What is the IUPAC name of [4-(5-heptyl-1H-pyrazol-3-yl)phenyl]methanamine?
The IUPAC name of [4-(5-heptyl-1H-pyrazol-3-yl)phenyl]methanamine (CID 58507099) is [4-(5-heptyl-1H-pyrazol-3-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5-heptyl-1H-pyrazol-3-yl)phenyl]methanamine?
The canonical SMILES for [4-(5-heptyl-1H-pyrazol-3-yl)phenyl]methanamine is CCCCCCCc1cc(-c2ccc(CN)cc2)n[nH]1.
What is the InChIKey of [4-(5-heptyl-1H-pyrazol-3-yl)phenyl]methanamine?
The InChIKey is FFUGDUJLEOMXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-3-4-5-6-7-16-12-17(20-19-16)15-10-8-14(13-18)9-11-15/h8-12H,2-7,13,18H2,1H3,(H,19,20).
What are the key properties of [4-(5-heptyl-1H-pyrazol-3-yl)phenyl]methanamine?
[4-(5-heptyl-1H-pyrazol-3-yl)phenyl]methanamine has a molecular weight of 271.41 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-heptyl-1H-pyrazol-3-yl)phenyl]methanamine is sourced from PubChem (CID 58507099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).