2-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]-N-[(Z)-3-cyclopropyl-1-(2-methylidenehydrazinyl)prop-1-enyl]acetamide

C19H22ClN5O — CID 176713732

IUPAC2-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]-N-[(Z)-3-cyclopropyl-1-(2-methylidenehydrazinyl)prop-1-enyl]acetamide
SMILESC=NN/C(=C\CC1CC1)NC(=O)Cc1cnn(-c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C19H22ClN5O/c1-13-3-7-16(10-17(13)20)25-12-15(11-22-25)9-19(26)23-18(24-21-2)8-6-14-4-5-14/h3,7-8,10-12,14,24H,2,4-6,9H2,1H3,(H,23,26)/b18-8-
InChIKeyXIJLWSZMQLOVAS-LSCVHKIXSA-N
MW371.87 g/mol
LogP3.34
Rot. Bonds8

About 2-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]-N-[(Z)-3-cyclopropyl-1-(2-methylidenehydrazinyl)prop-1-enyl]acetamide

2-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]-N-[(Z)-3-cyclopropyl-1-(2-methylidenehydrazinyl)prop-1-enyl]acetamide (PubChem CID 176713732) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]-N-[(Z)-3-cyclopropyl-1-(2-methylidenehydrazinyl)prop-1-enyl]acetamide.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]-N-[(Z)-3-cyclopropyl-1-(2-methylidenehydrazinyl)prop-1-enyl]acetamide
PubChem CID176713732
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name2-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]-N-[(Z)-3-cyclopropyl-1-(2-methylidenehydrazinyl)prop-1-enyl]acetamide
SMILESC=NN/C(=C\CC1CC1)NC(=O)Cc1cnn(-c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C19H22ClN5O/c1-13-3-7-16(10-17(13)20)25-12-15(11-22-25)9-19(26)23-18(24-21-2)8-6-14-4-5-14/h3,7-8,10-12,14,24H,2,4-6,9H2,1H3,(H,23,26)/b18-8-
InChIKeyXIJLWSZMQLOVAS-LSCVHKIXSA-N
XLogP3.34
TPSA71.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]-N-[(Z)-3-cyclopropyl-1-(2-methylidenehydrazinyl)prop-1-enyl]acetamide?
The IUPAC name of 2-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]-N-[(Z)-3-cyclopropyl-1-(2-methylidenehydrazinyl)prop-1-enyl]acetamide (CID 176713732) is 2-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]-N-[(Z)-3-cyclopropyl-1-(2-methylidenehydrazinyl)prop-1-enyl]acetamide.
What is the SMILES notation for 2-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]-N-[(Z)-3-cyclopropyl-1-(2-methylidenehydrazinyl)prop-1-enyl]acetamide?
The canonical SMILES for 2-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]-N-[(Z)-3-cyclopropyl-1-(2-methylidenehydrazinyl)prop-1-enyl]acetamide is C=NN/C(=C\CC1CC1)NC(=O)Cc1cnn(-c2ccc(C)c(Cl)c2)c1.
What is the InChIKey of 2-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]-N-[(Z)-3-cyclopropyl-1-(2-methylidenehydrazinyl)prop-1-enyl]acetamide?
The InChIKey is XIJLWSZMQLOVAS-LSCVHKIXSA-N. The full InChI is InChI=1S/C19H22ClN5O/c1-13-3-7-16(10-17(13)20)25-12-15(11-22-25)9-19(26)23-18(24-21-2)8-6-14-4-5-14/h3,7-8,10-12,14,24H,2,4-6,9H2,1H3,(H,23,26)/b18-8-.
What are the key properties of 2-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]-N-[(Z)-3-cyclopropyl-1-(2-methylidenehydrazinyl)prop-1-enyl]acetamide?
2-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]-N-[(Z)-3-cyclopropyl-1-(2-methylidenehydrazinyl)prop-1-enyl]acetamide has a molecular weight of 371.87 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]-N-[(Z)-3-cyclopropyl-1-(2-methylidenehydrazinyl)prop-1-enyl]acetamide is sourced from PubChem (CID 176713732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).