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

C12H13ClN4O — CID 113433364

IUPAC2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
SMILESCc1[nH]nc(NC(=O)c2cccc(Cl)c2N)c1C
InChIInChI=1S/C12H13ClN4O/c1-6-7(2)16-17-11(6)15-12(18)8-4-3-5-9(13)10(8)14/h3-5H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyGOGRFLVNSCTVFL-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.51
Rot. Bonds2

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

2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide (PubChem CID 113433364) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
PubChem CID113433364
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
SMILESCc1[nH]nc(NC(=O)c2cccc(Cl)c2N)c1C
InChIInChI=1S/C12H13ClN4O/c1-6-7(2)16-17-11(6)15-12(18)8-4-3-5-9(13)10(8)14/h3-5H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyGOGRFLVNSCTVFL-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-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 104616434
3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433365
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 113231423
2-amino-3-chloro-N-(3-methyl-2-pyridinyl)benzamide
CID 115539994
4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
CID 154805189
2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide
CID 115609989
4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide
CID 112547954
5-amino-2-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433346
2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 115622239
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide
CID 104616474
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 2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide (CID 113433364) is 2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide is Cc1[nH]nc(NC(=O)c2cccc(Cl)c2N)c1C.
What is the InChIKey of 2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is GOGRFLVNSCTVFL-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(13)10(8)14/h3-5H,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide?
2-amino-3-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 2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 113433364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).