(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine

C7H11N3 — CID 171097273

IUPAC(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine
SMILESC=CCC1=NN=C(CN)C1
InChIInChI=1S/C7H11N3/c1-2-3-6-4-7(5-8)10-9-6/h2H,1,3-5,8H2
InChIKeyYQKRSYASGXHACX-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.72
Rot. Bonds3

About (5-prop-2-enyl-4H-pyrazol-3-yl)methanamine

(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine (PubChem CID 171097273) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is (5-prop-2-enyl-4H-pyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine
PubChem CID171097273
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine
SMILESC=CCC1=NN=C(CN)C1
InChIInChI=1S/C7H11N3/c1-2-3-6-4-7(5-8)10-9-6/h2H,1,3-5,8H2
InChIKeyYQKRSYASGXHACX-UHFFFAOYSA-N
XLogP0.72
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.72
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

3-Iminohex-5-en-1-amine
CID 57035427
(5-prop-2-enyl-4H-pyrazol-3-yl)methylhydrazine
CID 165138914

Frequently Asked Questions

What is the IUPAC name of (5-prop-2-enyl-4H-pyrazol-3-yl)methanamine?
The IUPAC name of (5-prop-2-enyl-4H-pyrazol-3-yl)methanamine (CID 171097273) is (5-prop-2-enyl-4H-pyrazol-3-yl)methanamine.
What is the SMILES notation for (5-prop-2-enyl-4H-pyrazol-3-yl)methanamine?
The canonical SMILES for (5-prop-2-enyl-4H-pyrazol-3-yl)methanamine is C=CCC1=NN=C(CN)C1.
What is the InChIKey of (5-prop-2-enyl-4H-pyrazol-3-yl)methanamine?
The InChIKey is YQKRSYASGXHACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-3-6-4-7(5-8)10-9-6/h2H,1,3-5,8H2.
What are the key properties of (5-prop-2-enyl-4H-pyrazol-3-yl)methanamine?
(5-prop-2-enyl-4H-pyrazol-3-yl)methanamine has a molecular weight of 137.19 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-prop-2-enyl-4H-pyrazol-3-yl)methanamine is sourced from PubChem (CID 171097273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).