4-methyl-3-[(E)-2-(4-methyl-1H-pyrazol-5-yl)prop-1-enyl]pyridine

C13H15N3 — CID 143600723

IUPAC4-methyl-3-[(E)-2-(4-methyl-1H-pyrazol-5-yl)prop-1-enyl]pyridine
SMILESC/C(=C\c1cnccc1C)c1[nH]ncc1C
InChIInChI=1S/C13H15N3/c1-9-4-5-14-8-12(9)6-10(2)13-11(3)7-15-16-13/h4-8H,1-3H3,(H,15,16)/b10-6+
InChIKeyVZAHLONRIMCHMH-UXBLZVDNSA-N
MW213.28 g/mol
LogP2.98
Rot. Bonds2

About 4-methyl-3-[(E)-2-(4-methyl-1H-pyrazol-5-yl)prop-1-enyl]pyridine

4-methyl-3-[(E)-2-(4-methyl-1H-pyrazol-5-yl)prop-1-enyl]pyridine (PubChem CID 143600723) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-methyl-3-[(E)-2-(4-methyl-1H-pyrazol-5-yl)prop-1-enyl]pyridine.

Molecular Properties

Compound Name4-methyl-3-[(E)-2-(4-methyl-1H-pyrazol-5-yl)prop-1-enyl]pyridine
PubChem CID143600723
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-methyl-3-[(E)-2-(4-methyl-1H-pyrazol-5-yl)prop-1-enyl]pyridine
SMILESC/C(=C\c1cnccc1C)c1[nH]ncc1C
InChIInChI=1S/C13H15N3/c1-9-4-5-14-8-12(9)6-10(2)13-11(3)7-15-16-13/h4-8H,1-3H3,(H,15,16)/b10-6+
InChIKeyVZAHLONRIMCHMH-UXBLZVDNSA-N
XLogP2.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N,3-dimethyl-4-(4-methyl-3-pyridinyl)but-3-en-2-amine
CID 103092887
(E)-2-amino-3-(4-methyl-3-pyridinyl)prop-2-enoic acid
CID 104830952
(NZ)-N-[(4-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 5355244
3-[(1E)-2-ethenylpenta-1,4-dienyl]-4-methylpyridine
CID 134566553
2-methyl-6-[5-[(E)-1-(4-methyl-3-pyridinyl)prop-1-en-2-yl]pyrazol-1-yl]pyridine
CID 176997644
(4-methyl-3-pyridinyl)methanimine
CID 89161625
5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole
CID 123564030
4-methyl-1H-pyrazole-5-carboxamide
CID 19376020
4-methyl-3-[(Z)-3-methylidenepent-1-enyl]pyridine
CID 145372695
N'-acetyl-4-methyl-1H-pyrazole-5-carbohydrazide
CID 130628972
5-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-1H-pyrazole;ethane
CID 177158816
4-methylpyridin-3-ol;trihydrobromide
CID 174838364

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(E)-2-(4-methyl-1H-pyrazol-5-yl)prop-1-enyl]pyridine?
The IUPAC name of 4-methyl-3-[(E)-2-(4-methyl-1H-pyrazol-5-yl)prop-1-enyl]pyridine (CID 143600723) is 4-methyl-3-[(E)-2-(4-methyl-1H-pyrazol-5-yl)prop-1-enyl]pyridine.
What is the SMILES notation for 4-methyl-3-[(E)-2-(4-methyl-1H-pyrazol-5-yl)prop-1-enyl]pyridine?
The canonical SMILES for 4-methyl-3-[(E)-2-(4-methyl-1H-pyrazol-5-yl)prop-1-enyl]pyridine is C/C(=C\c1cnccc1C)c1[nH]ncc1C.
What is the InChIKey of 4-methyl-3-[(E)-2-(4-methyl-1H-pyrazol-5-yl)prop-1-enyl]pyridine?
The InChIKey is VZAHLONRIMCHMH-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H15N3/c1-9-4-5-14-8-12(9)6-10(2)13-11(3)7-15-16-13/h4-8H,1-3H3,(H,15,16)/b10-6+.
What are the key properties of 4-methyl-3-[(E)-2-(4-methyl-1H-pyrazol-5-yl)prop-1-enyl]pyridine?
4-methyl-3-[(E)-2-(4-methyl-1H-pyrazol-5-yl)prop-1-enyl]pyridine has a molecular weight of 213.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(E)-2-(4-methyl-1H-pyrazol-5-yl)prop-1-enyl]pyridine is sourced from PubChem (CID 143600723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).