N-methyl-1-(2-methylpyrazol-3-yl)prop-2-en-1-amine

C8H13N3 — CID 105161334

IUPACN-methyl-1-(2-methylpyrazol-3-yl)prop-2-en-1-amine
SMILESC=CC(NC)c1ccnn1C
InChIInChI=1S/C8H13N3/c1-4-7(9-2)8-5-6-10-11(8)3/h4-7,9H,1H2,2-3H3
InChIKeyGZSHYZFXUFFIEM-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.87
Rot. Bonds3

About N-methyl-1-(2-methylpyrazol-3-yl)prop-2-en-1-amine

N-methyl-1-(2-methylpyrazol-3-yl)prop-2-en-1-amine (PubChem CID 105161334) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N-methyl-1-(2-methylpyrazol-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpyrazol-3-yl)prop-2-en-1-amine
PubChem CID105161334
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN-methyl-1-(2-methylpyrazol-3-yl)prop-2-en-1-amine
SMILESC=CC(NC)c1ccnn1C
InChIInChI=1S/C8H13N3/c1-4-7(9-2)8-5-6-10-11(8)3/h4-7,9H,1H2,2-3H3
InChIKeyGZSHYZFXUFFIEM-UHFFFAOYSA-N
XLogP0.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.87
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

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N-methyl-1-(2-methylpyrazol-3-yl)-2-phenylpropan-1-amine
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CID 102841118

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpyrazol-3-yl)prop-2-en-1-amine?
The IUPAC name of N-methyl-1-(2-methylpyrazol-3-yl)prop-2-en-1-amine (CID 105161334) is N-methyl-1-(2-methylpyrazol-3-yl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-1-(2-methylpyrazol-3-yl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-1-(2-methylpyrazol-3-yl)prop-2-en-1-amine is C=CC(NC)c1ccnn1C.
What is the InChIKey of N-methyl-1-(2-methylpyrazol-3-yl)prop-2-en-1-amine?
The InChIKey is GZSHYZFXUFFIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-4-7(9-2)8-5-6-10-11(8)3/h4-7,9H,1H2,2-3H3.
What are the key properties of N-methyl-1-(2-methylpyrazol-3-yl)prop-2-en-1-amine?
N-methyl-1-(2-methylpyrazol-3-yl)prop-2-en-1-amine has a molecular weight of 151.21 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpyrazol-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 105161334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).