Skip to content

5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide

C14H17ClN4O — CID 106049975

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NCc1cnn(C)c1C
InChIInChI=1S/C14H17ClN4O/c1-9-10(8-18-19(9)3)7-17-14(20)12-6-11(15)4-5-13(12)16-2/h4-6,8,16H,7H2,1-3H3,(H,17,20)
InChIKeyPTOUJFRZOBOHCY-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.35
Rot. Bonds4

About 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide

5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide (PubChem CID 106049975) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide
PubChem CID106049975
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NCc1cnn(C)c1C
InChIInChI=1S/C14H17ClN4O/c1-9-10(8-18-19(9)3)7-17-14(20)12-6-11(15)4-5-13(12)16-2/h4-6,8,16H,7H2,1-3H3,(H,17,20)
InChIKeyPTOUJFRZOBOHCY-UHFFFAOYSA-N
XLogP2.35
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)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 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide?
The IUPAC name of 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide (CID 106049975) is 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide.
What is the SMILES notation for 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide?
The canonical SMILES for 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide is CNc1ccc(Cl)cc1C(=O)NCc1cnn(C)c1C.
What is the InChIKey of 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide?
The InChIKey is PTOUJFRZOBOHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-9-10(8-18-19(9)3)7-17-14(20)12-6-11(15)4-5-13(12)16-2/h4-6,8,16H,7H2,1-3H3,(H,17,20).
What are the key properties of 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide?
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide has a molecular weight of 292.77 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide is sourced from PubChem (CID 106049975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.