2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide

C12H13ClN4O — CID 54865163

IUPAC2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide
SMILESCNC(=O)c1cc(NCc2ccn[nH]2)ccc1Cl
InChIInChI=1S/C12H13ClN4O/c1-14-12(18)10-6-8(2-3-11(10)13)15-7-9-4-5-16-17-9/h2-6,15H,7H2,1H3,(H,14,18)(H,16,17)
InChIKeyIUEUMLZKXGVHAD-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.03
Rot. Bonds4

About 2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide

2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide (PubChem CID 54865163) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide
PubChem CID54865163
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide
SMILESCNC(=O)c1cc(NCc2ccn[nH]2)ccc1Cl
InChIInChI=1S/C12H13ClN4O/c1-14-12(18)10-6-8(2-3-11(10)13)15-7-9-4-5-16-17-9/h2-6,15H,7H2,1H3,(H,14,18)(H,16,17)
InChIKeyIUEUMLZKXGVHAD-UHFFFAOYSA-N
XLogP2.03
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide?
The IUPAC name of 2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide (CID 54865163) is 2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide is CNC(=O)c1cc(NCc2ccn[nH]2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide?
The InChIKey is IUEUMLZKXGVHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-14-12(18)10-6-8(2-3-11(10)13)15-7-9-4-5-16-17-9/h2-6,15H,7H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide?
2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide has a molecular weight of 264.72 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide is sourced from PubChem (CID 54865163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).