2-methyl-N-(1H-pyrazol-5-ylmethyl)prop-2-en-1-amine

C8H13N3 — CID 114615875

IUPAC2-methyl-N-(1H-pyrazol-5-ylmethyl)prop-2-en-1-amine
SMILESC=C(C)CNCc1ccn[nH]1
InChIInChI=1S/C8H13N3/c1-7(2)5-9-6-8-3-4-10-11-8/h3-4,9H,1,5-6H2,2H3,(H,10,11)
InChIKeyIUQYQDAIFFHERN-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.08
Rot. Bonds4

About 2-methyl-N-(1H-pyrazol-5-ylmethyl)prop-2-en-1-amine

2-methyl-N-(1H-pyrazol-5-ylmethyl)prop-2-en-1-amine (PubChem CID 114615875) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrazol-5-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrazol-5-ylmethyl)prop-2-en-1-amine
PubChem CID114615875
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-methyl-N-(1H-pyrazol-5-ylmethyl)prop-2-en-1-amine
SMILESC=C(C)CNCc1ccn[nH]1
InChIInChI=1S/C8H13N3/c1-7(2)5-9-6-8-3-4-10-11-8/h3-4,9H,1,5-6H2,2H3,(H,10,11)
InChIKeyIUQYQDAIFFHERN-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
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 2-methyl-N-(1H-pyrazol-5-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-(1H-pyrazol-5-ylmethyl)prop-2-en-1-amine (CID 114615875) is 2-methyl-N-(1H-pyrazol-5-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-(1H-pyrazol-5-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-(1H-pyrazol-5-ylmethyl)prop-2-en-1-amine is C=C(C)CNCc1ccn[nH]1.
What is the InChIKey of 2-methyl-N-(1H-pyrazol-5-ylmethyl)prop-2-en-1-amine?
The InChIKey is IUQYQDAIFFHERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-7(2)5-9-6-8-3-4-10-11-8/h3-4,9H,1,5-6H2,2H3,(H,10,11).
What are the key properties of 2-methyl-N-(1H-pyrazol-5-ylmethyl)prop-2-en-1-amine?
2-methyl-N-(1H-pyrazol-5-ylmethyl)prop-2-en-1-amine has a molecular weight of 151.21 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-pyrazol-5-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 114615875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).