N-(1H-pyrazol-5-ylmethyl)but-3-en-2-amine

C8H13N3 — CID 115691267

IUPACN-(1H-pyrazol-5-ylmethyl)but-3-en-2-amine
SMILESC=CC(C)NCc1ccn[nH]1
InChIInChI=1S/C8H13N3/c1-3-7(2)9-6-8-4-5-10-11-8/h3-5,7,9H,1,6H2,2H3,(H,10,11)
InChIKeyRYKPDGMUKREJSZ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.07
Rot. Bonds4

About N-(1H-pyrazol-5-ylmethyl)but-3-en-2-amine

N-(1H-pyrazol-5-ylmethyl)but-3-en-2-amine (PubChem CID 115691267) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)but-3-en-2-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)but-3-en-2-amine
PubChem CID115691267
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN-(1H-pyrazol-5-ylmethyl)but-3-en-2-amine
SMILESC=CC(C)NCc1ccn[nH]1
InChIInChI=1S/C8H13N3/c1-3-7(2)9-6-8-4-5-10-11-8/h3-5,7,9H,1,6H2,2H3,(H,10,11)
InChIKeyRYKPDGMUKREJSZ-UHFFFAOYSA-N
XLogP1.07
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)but-3-en-2-amine?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)but-3-en-2-amine (CID 115691267) is N-(1H-pyrazol-5-ylmethyl)but-3-en-2-amine.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)but-3-en-2-amine?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)but-3-en-2-amine is C=CC(C)NCc1ccn[nH]1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)but-3-en-2-amine?
The InChIKey is RYKPDGMUKREJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-7(2)9-6-8-4-5-10-11-8/h3-5,7,9H,1,6H2,2H3,(H,10,11).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)but-3-en-2-amine?
N-(1H-pyrazol-5-ylmethyl)but-3-en-2-amine has a molecular weight of 151.21 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)but-3-en-2-amine is sourced from PubChem (CID 115691267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).