4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyridin-3-ylpyrazol-4-yl)benzamide

C18H14ClFN4O — CID 134325460

IUPAC4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyridin-3-ylpyrazol-4-yl)benzamide
SMILESO=C(NC1CC1)c1cc(-c2cnn(-c3cccnc3)c2)c(Cl)cc1F
InChIInChI=1S/C18H14ClFN4O/c19-16-7-17(20)15(18(25)23-12-3-4-12)6-14(16)11-8-22-24(10-11)13-2-1-5-21-9-13/h1-2,5-10,12H,3-4H2,(H,23,25)
InChIKeyYJYMKMUELNSCPG-UHFFFAOYSA-N
MW356.79 g/mol
LogP3.62
Rot. Bonds4

About 4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyridin-3-ylpyrazol-4-yl)benzamide

4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyridin-3-ylpyrazol-4-yl)benzamide (PubChem CID 134325460) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyridin-3-ylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyridin-3-ylpyrazol-4-yl)benzamide
PubChem CID134325460
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyridin-3-ylpyrazol-4-yl)benzamide
SMILESO=C(NC1CC1)c1cc(-c2cnn(-c3cccnc3)c2)c(Cl)cc1F
InChIInChI=1S/C18H14ClFN4O/c19-16-7-17(20)15(18(25)23-12-3-4-12)6-14(16)11-8-22-24(10-11)13-2-1-5-21-9-13/h1-2,5-10,12H,3-4H2,(H,23,25)
InChIKeyYJYMKMUELNSCPG-UHFFFAOYSA-N
XLogP3.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyridin-3-ylpyrazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyridin-3-ylpyrazol-4-yl)benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyridin-3-ylpyrazol-4-yl)benzamide (CID 134325460) is 4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyridin-3-ylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyridin-3-ylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyridin-3-ylpyrazol-4-yl)benzamide is O=C(NC1CC1)c1cc(-c2cnn(-c3cccnc3)c2)c(Cl)cc1F.
What is the InChIKey of 4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyridin-3-ylpyrazol-4-yl)benzamide?
The InChIKey is YJYMKMUELNSCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c19-16-7-17(20)15(18(25)23-12-3-4-12)6-14(16)11-8-22-24(10-11)13-2-1-5-21-9-13/h1-2,5-10,12H,3-4H2,(H,23,25).
What are the key properties of 4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyridin-3-ylpyrazol-4-yl)benzamide?
4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyridin-3-ylpyrazol-4-yl)benzamide has a molecular weight of 356.79 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyridin-3-ylpyrazol-4-yl)benzamide is sourced from PubChem (CID 134325460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).