N-but-3-en-2-yl-4-pyrazol-1-ylbutan-2-amine

C11H19N3 — CID 115977708

IUPACN-but-3-en-2-yl-4-pyrazol-1-ylbutan-2-amine
SMILESC=CC(C)NC(C)CCn1cccn1
InChIInChI=1S/C11H19N3/c1-4-10(2)13-11(3)6-9-14-8-5-7-12-14/h4-5,7-8,10-11,13H,1,6,9H2,2-3H3
InChIKeyLZPXSGJALZKWEW-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.83
Rot. Bonds6

About N-but-3-en-2-yl-4-pyrazol-1-ylbutan-2-amine

N-but-3-en-2-yl-4-pyrazol-1-ylbutan-2-amine (PubChem CID 115977708) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-but-3-en-2-yl-4-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-4-pyrazol-1-ylbutan-2-amine
PubChem CID115977708
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-but-3-en-2-yl-4-pyrazol-1-ylbutan-2-amine
SMILESC=CC(C)NC(C)CCn1cccn1
InChIInChI=1S/C11H19N3/c1-4-10(2)13-11(3)6-9-14-8-5-7-12-14/h4-5,7-8,10-11,13H,1,6,9H2,2-3H3
InChIKeyLZPXSGJALZKWEW-UHFFFAOYSA-N
XLogP1.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 103952125
(2R)-N-methyl-2-(4-pyrazol-1-ylbutan-2-ylamino)propanamide
CID 103952287
(2R)-1-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
CID 103952260
N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
CID 115976552
(2S)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-pyrazol-1-ylbutan-2-amine
CID 97341577
N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine
CID 115977889
N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine
CID 86784746
N-methyl-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide
CID 115977436
N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine
CID 115977569
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
N-(1-pyrazol-1-ylpropan-2-yl)hexan-2-amine
CID 43791834

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-4-pyrazol-1-ylbutan-2-amine?
The IUPAC name of N-but-3-en-2-yl-4-pyrazol-1-ylbutan-2-amine (CID 115977708) is N-but-3-en-2-yl-4-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for N-but-3-en-2-yl-4-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for N-but-3-en-2-yl-4-pyrazol-1-ylbutan-2-amine is C=CC(C)NC(C)CCn1cccn1.
What is the InChIKey of N-but-3-en-2-yl-4-pyrazol-1-ylbutan-2-amine?
The InChIKey is LZPXSGJALZKWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-10(2)13-11(3)6-9-14-8-5-7-12-14/h4-5,7-8,10-11,13H,1,6,9H2,2-3H3.
What are the key properties of N-but-3-en-2-yl-4-pyrazol-1-ylbutan-2-amine?
N-but-3-en-2-yl-4-pyrazol-1-ylbutan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-4-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 115977708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).