1-(5-phenyl-1H-pyrazol-4-yl)hexan-1-amine

C15H21N3 — CID 122552660

IUPAC1-(5-phenyl-1H-pyrazol-4-yl)hexan-1-amine
SMILESCCCCCC(N)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C15H21N3/c1-2-3-5-10-14(16)13-11-17-18-15(13)12-8-6-4-7-9-12/h4,6-9,11,14H,2-3,5,10,16H2,1H3,(H,17,18)
InChIKeyNVFQQOSVRZFUPV-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.66
Rot. Bonds6

About 1-(5-phenyl-1H-pyrazol-4-yl)hexan-1-amine

1-(5-phenyl-1H-pyrazol-4-yl)hexan-1-amine (PubChem CID 122552660) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(5-phenyl-1H-pyrazol-4-yl)hexan-1-amine.

Molecular Properties

Compound Name1-(5-phenyl-1H-pyrazol-4-yl)hexan-1-amine
PubChem CID122552660
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(5-phenyl-1H-pyrazol-4-yl)hexan-1-amine
SMILESCCCCCC(N)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C15H21N3/c1-2-3-5-10-14(16)13-11-17-18-15(13)12-8-6-4-7-9-12/h4,6-9,11,14H,2-3,5,10,16H2,1H3,(H,17,18)
InChIKeyNVFQQOSVRZFUPV-UHFFFAOYSA-N
XLogP3.66
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.66
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

1-phenylhexan-1-amine;hydrochloride
CID 3033249
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CID 43175860
1-(2-bromophenyl)hexan-1-amine
CID 62604682
1-(2-methylphenyl)nonan-1-amine
CID 63412316
1-(2-iodo-3-methylphenyl)octan-1-amine
CID 114030076
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
1-(2-hexadecylphenyl)heptadecan-1-amine
CID 70401648
1-(2-methylquinolin-4-yl)octan-1-amine
CID 105124901
(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 67213867
1-isoquinolin-4-ylnonan-1-amine
CID 115856304
chloromethane;1-phenyltridecan-1-amine
CID 175245788

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1H-pyrazol-4-yl)hexan-1-amine?
The IUPAC name of 1-(5-phenyl-1H-pyrazol-4-yl)hexan-1-amine (CID 122552660) is 1-(5-phenyl-1H-pyrazol-4-yl)hexan-1-amine.
What is the SMILES notation for 1-(5-phenyl-1H-pyrazol-4-yl)hexan-1-amine?
The canonical SMILES for 1-(5-phenyl-1H-pyrazol-4-yl)hexan-1-amine is CCCCCC(N)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of 1-(5-phenyl-1H-pyrazol-4-yl)hexan-1-amine?
The InChIKey is NVFQQOSVRZFUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-3-5-10-14(16)13-11-17-18-15(13)12-8-6-4-7-9-12/h4,6-9,11,14H,2-3,5,10,16H2,1H3,(H,17,18).
What are the key properties of 1-(5-phenyl-1H-pyrazol-4-yl)hexan-1-amine?
1-(5-phenyl-1H-pyrazol-4-yl)hexan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1H-pyrazol-4-yl)hexan-1-amine is sourced from PubChem (CID 122552660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).