4-chloro-N-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]benzamide

C13H14ClN5O2 — CID 86816660

IUPAC4-chloro-N-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]benzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C13H14ClN5O2/c1-15-12(20)8-3-4-9(14)10(7-8)16-13(21)17-11-5-6-19(2)18-11/h3-7H,1-2H3,(H,15,20)(H2,16,17,18,21)
InChIKeyOPPIKGZNVOZJHQ-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.08
Rot. Bonds3

About 4-chloro-N-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]benzamide

4-chloro-N-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]benzamide (PubChem CID 86816660) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]benzamide
PubChem CID86816660
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC Name4-chloro-N-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]benzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C13H14ClN5O2/c1-15-12(20)8-3-4-9(14)10(7-8)16-13(21)17-11-5-6-19(2)18-11/h3-7H,1-2H3,(H,15,20)(H2,16,17,18,21)
InChIKeyOPPIKGZNVOZJHQ-UHFFFAOYSA-N
XLogP2.08
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide
CID 49017272
4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide
CID 47223819
4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47223817
3-(butylcarbamoylamino)-4-chloro-N-methylbenzamide
CID 47223827
6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60795097
N-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 87004540
1-(3-chloro-4-pyrrolidin-1-ylphenyl)-3-(1-methylpyrazol-3-yl)urea
CID 75456168
tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate
CID 65142598
N-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide
CID 54888919
2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103758998
3-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 66484687
4-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 4865337

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]benzamide?
The IUPAC name of 4-chloro-N-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]benzamide (CID 86816660) is 4-chloro-N-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]benzamide.
What is the SMILES notation for 4-chloro-N-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]benzamide?
The canonical SMILES for 4-chloro-N-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]benzamide is CNC(=O)c1ccc(Cl)c(NC(=O)Nc2ccn(C)n2)c1.
What is the InChIKey of 4-chloro-N-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]benzamide?
The InChIKey is OPPIKGZNVOZJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c1-15-12(20)8-3-4-9(14)10(7-8)16-13(21)17-11-5-6-19(2)18-11/h3-7H,1-2H3,(H,15,20)(H2,16,17,18,21).
What are the key properties of 4-chloro-N-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]benzamide?
4-chloro-N-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]benzamide has a molecular weight of 307.74 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]benzamide is sourced from PubChem (CID 86816660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).