N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine

C12H23N3 — CID 115976552

IUPACN-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
SMILESCCCCCNC(C)CCn1cccn1
InChIInChI=1S/C12H23N3/c1-3-4-5-8-13-12(2)7-11-15-10-6-9-14-15/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3
InChIKeyJMZOOESQOHAQRW-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.44
Rot. Bonds8

About N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine

N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine (PubChem CID 115976552) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
PubChem CID115976552
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
SMILESCCCCCNC(C)CCn1cccn1
InChIInChI=1S/C12H23N3/c1-3-4-5-8-13-12(2)7-11-15-10-6-9-14-15/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3
InChIKeyJMZOOESQOHAQRW-UHFFFAOYSA-N
XLogP2.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.44
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

N-(3-pyrazol-1-ylpropyl)octan-2-amine
CID 112700088
N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine
CID 115977569
N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine
CID 115705346
(2R)-1-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
CID 103952260
N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569
(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyrazol-1-ylbutan-2-amine
CID 124594412
N-(2-pyrazol-1-ylethyl)nonan-1-amine
CID 61463027
N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide
CID 54951591
1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 65025560
N-methyl-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide
CID 115977436
2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 115977842
N-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine
CID 115977534

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine?
The IUPAC name of N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine (CID 115976552) is N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine.
What is the SMILES notation for N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine?
The canonical SMILES for N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine is CCCCCNC(C)CCn1cccn1.
What is the InChIKey of N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine?
The InChIKey is JMZOOESQOHAQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-4-5-8-13-12(2)7-11-15-10-6-9-14-15/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3.
What are the key properties of N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine?
N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine is sourced from PubChem (CID 115976552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).