(E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-1-en-1-amine

C8H13N3 — CID 67952565

IUPAC(E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-1-en-1-amine
SMILESC/C(=C\N)Cc1cnn(C)c1
InChIInChI=1S/C8H13N3/c1-7(4-9)3-8-5-10-11(2)6-8/h4-6H,3,9H2,1-2H3/b7-4+
InChIKeyDGHPQGGKXUNMRP-QPJJXVBHSA-N
MW151.21 g/mol
LogP0.83
Rot. Bonds2

About (E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-1-en-1-amine

(E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-1-en-1-amine (PubChem CID 67952565) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-1-en-1-amine
PubChem CID67952565
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-1-en-1-amine
SMILESC/C(=C\N)Cc1cnn(C)c1
InChIInChI=1S/C8H13N3/c1-7(4-9)3-8-5-10-11(2)6-8/h4-6H,3,9H2,1-2H3/b7-4+
InChIKeyDGHPQGGKXUNMRP-QPJJXVBHSA-N
XLogP0.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethane;4-ethyl-1-methylpyrazole
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O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine
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2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
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CID 79329731

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-1-en-1-amine?
The IUPAC name of (E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-1-en-1-amine (CID 67952565) is (E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-1-en-1-amine.
What is the SMILES notation for (E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-1-en-1-amine?
The canonical SMILES for (E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-1-en-1-amine is C/C(=C\N)Cc1cnn(C)c1.
What is the InChIKey of (E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-1-en-1-amine?
The InChIKey is DGHPQGGKXUNMRP-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H13N3/c1-7(4-9)3-8-5-10-11(2)6-8/h4-6H,3,9H2,1-2H3/b7-4+.
What are the key properties of (E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-1-en-1-amine?
(E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-1-en-1-amine has a molecular weight of 151.21 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-1-en-1-amine is sourced from PubChem (CID 67952565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).