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

C8H13N3 — CID 135343059

IUPAC(E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-en-1-amine
SMILESCNC/C=C/c1cnn(C)c1
InChIInChI=1S/C8H13N3/c1-9-5-3-4-8-6-10-11(2)7-8/h3-4,6-7,9H,5H2,1-2H3/b4-3+
InChIKeyCWOXDOAOJRCTIC-ONEGZZNKSA-N
MW151.21 g/mol
LogP0.65
Rot. Bonds3

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

(E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-en-1-amine (PubChem CID 135343059) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-en-1-amine
PubChem CID135343059
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-en-1-amine
SMILESCNC/C=C/c1cnn(C)c1
InChIInChI=1S/C8H13N3/c1-9-5-3-4-8-6-10-11(2)7-8/h3-4,6-7,9H,5H2,1-2H3/b4-3+
InChIKeyCWOXDOAOJRCTIC-ONEGZZNKSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylpyrazol-4-yl)prop-2-en-1-ol
CID 79335463
4-[(E)-but-1-enyl]-1-methylpyrazole;ethane
CID 177039427
N-[4-(1-methylpyrazol-4-yl)but-3-enyl]cyclopropanamine
CID 79590615
4-(1-methylpyrazol-4-yl)but-3-enamide
CID 170797292
(1E,4E)-1,5-bis(1-methylpyrazol-4-yl)penta-1,4-dien-3-one
CID 122177397
(E)-3-(1-methylpyrazol-4-yl)-N-[(E)-pent-3-enyl]prop-2-enamide
CID 115628045
(E)-3-(1-methylpyrazol-4-yl)-N-pentan-3-ylprop-2-enamide
CID 24680958
N-(1,3-dihydroxypropan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 77064998
1-methyl-4-(2-methylprop-1-enyl)pyrazole
CID 155941655
(E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 115968812
(E)-N-(2-chloroprop-2-enyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 115636816
2-methyl-3-(1-methylpyrazol-4-yl)prop-2-en-1-amine
CID 79329731

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-en-1-amine?
The IUPAC name of (E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-en-1-amine (CID 135343059) is (E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-en-1-amine is CNC/C=C/c1cnn(C)c1.
What is the InChIKey of (E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-en-1-amine?
The InChIKey is CWOXDOAOJRCTIC-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H13N3/c1-9-5-3-4-8-6-10-11(2)7-8/h3-4,6-7,9H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-en-1-amine?
(E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-en-1-amine has a molecular weight of 151.21 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 135343059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).