3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide

C12H13ClN4O — CID 113433365

IUPAC3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
SMILESCc1[nH]nc(NC(=O)c2cccc(N)c2Cl)c1C
InChIInChI=1S/C12H13ClN4O/c1-6-7(2)16-17-11(6)15-12(18)8-4-3-5-9(14)10(8)13/h3-5H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyFBXBXZMAECMXFV-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.51
Rot. Bonds2

About 3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide

3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide (PubChem CID 113433365) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
PubChem CID113433365
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
SMILESCc1[nH]nc(NC(=O)c2cccc(N)c2Cl)c1C
InChIInChI=1S/C12H13ClN4O/c1-6-7(2)16-17-11(6)15-12(18)8-4-3-5-9(14)10(8)13/h3-5H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyFBXBXZMAECMXFV-UHFFFAOYSA-N
XLogP2.51
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433364
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 104616434
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 113231423
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide
CID 104616474
3-amino-2-chloro-N-(4-methylphenyl)benzamide
CID 112574116
5-amino-2-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433346
4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
CID 154805189
3-amino-2-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 112575791
3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide
CID 107623979
3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 104616482
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(propylamino)benzamide
CID 104619421
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 113227581

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide (CID 113433365) is 3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide is Cc1[nH]nc(NC(=O)c2cccc(N)c2Cl)c1C.
What is the InChIKey of 3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is FBXBXZMAECMXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-6-7(2)16-17-11(6)15-12(18)8-4-3-5-9(14)10(8)13/h3-5H,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide?
3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 264.72 g/mol, XLogP of 2.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 113433365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).