[5-(1-methylpyrazol-4-yl)-2-[(Z)-prop-1-enyl]-3-pyridinyl]-phenylmethanone

C19H17N3O — CID 143383608

IUPAC[5-(1-methylpyrazol-4-yl)-2-[(Z)-prop-1-enyl]-3-pyridinyl]-phenylmethanone
SMILESC/C=C\c1ncc(-c2cnn(C)c2)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H17N3O/c1-3-7-18-17(19(23)14-8-5-4-6-9-14)10-15(11-20-18)16-12-21-22(2)13-16/h3-13H,1-2H3/b7-3-
InChIKeyOPABIBVILKAGDK-CLTKARDFSA-N
MW303.37 g/mol
LogP3.75
Rot. Bonds4

About [5-(1-methylpyrazol-4-yl)-2-[(Z)-prop-1-enyl]-3-pyridinyl]-phenylmethanone

[5-(1-methylpyrazol-4-yl)-2-[(Z)-prop-1-enyl]-3-pyridinyl]-phenylmethanone (PubChem CID 143383608) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is [5-(1-methylpyrazol-4-yl)-2-[(Z)-prop-1-enyl]-3-pyridinyl]-phenylmethanone.

Molecular Properties

Compound Name[5-(1-methylpyrazol-4-yl)-2-[(Z)-prop-1-enyl]-3-pyridinyl]-phenylmethanone
PubChem CID143383608
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name[5-(1-methylpyrazol-4-yl)-2-[(Z)-prop-1-enyl]-3-pyridinyl]-phenylmethanone
SMILESC/C=C\c1ncc(-c2cnn(C)c2)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H17N3O/c1-3-7-18-17(19(23)14-8-5-4-6-9-14)10-15(11-20-18)16-12-21-22(2)13-16/h3-13H,1-2H3/b7-3-
InChIKeyOPABIBVILKAGDK-CLTKARDFSA-N
XLogP3.75
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1-methylpyrazol-4-yl)-2-[(Z)-prop-1-enyl]-3-pyridinyl]-phenylmethanone?
The IUPAC name of [5-(1-methylpyrazol-4-yl)-2-[(Z)-prop-1-enyl]-3-pyridinyl]-phenylmethanone (CID 143383608) is [5-(1-methylpyrazol-4-yl)-2-[(Z)-prop-1-enyl]-3-pyridinyl]-phenylmethanone.
What is the SMILES notation for [5-(1-methylpyrazol-4-yl)-2-[(Z)-prop-1-enyl]-3-pyridinyl]-phenylmethanone?
The canonical SMILES for [5-(1-methylpyrazol-4-yl)-2-[(Z)-prop-1-enyl]-3-pyridinyl]-phenylmethanone is C/C=C\c1ncc(-c2cnn(C)c2)cc1C(=O)c1ccccc1.
What is the InChIKey of [5-(1-methylpyrazol-4-yl)-2-[(Z)-prop-1-enyl]-3-pyridinyl]-phenylmethanone?
The InChIKey is OPABIBVILKAGDK-CLTKARDFSA-N. The full InChI is InChI=1S/C19H17N3O/c1-3-7-18-17(19(23)14-8-5-4-6-9-14)10-15(11-20-18)16-12-21-22(2)13-16/h3-13H,1-2H3/b7-3-.
What are the key properties of [5-(1-methylpyrazol-4-yl)-2-[(Z)-prop-1-enyl]-3-pyridinyl]-phenylmethanone?
[5-(1-methylpyrazol-4-yl)-2-[(Z)-prop-1-enyl]-3-pyridinyl]-phenylmethanone has a molecular weight of 303.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylpyrazol-4-yl)-2-[(Z)-prop-1-enyl]-3-pyridinyl]-phenylmethanone is sourced from PubChem (CID 143383608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).