5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide

C13H14Cl2N4O — CID 107185838

IUPAC5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2cc(N)cc(Cl)c2Cl)n[nH]1
InChIInChI=1S/C13H14Cl2N4O/c1-2-3-8-6-11(19-18-8)17-13(20)9-4-7(16)5-10(14)12(9)15/h4-6H,2-3,16H2,1H3,(H2,17,18,19,20)
InChIKeyCCXZSMWUONPHBM-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.50
Rot. Bonds4

About 5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide

5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide (PubChem CID 107185838) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
PubChem CID107185838
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2cc(N)cc(Cl)c2Cl)n[nH]1
InChIInChI=1S/C13H14Cl2N4O/c1-2-3-8-6-11(19-18-8)17-13(20)9-4-7(16)5-10(14)12(9)15/h4-6H,2-3,16H2,1H3,(H2,17,18,19,20)
InChIKeyCCXZSMWUONPHBM-UHFFFAOYSA-N
XLogP3.50
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.50
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

4-chloro-6-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 103803878
3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616231
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 104616226
2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233987
4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 104616213
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 104618246
2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide
CID 113233981
5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112690348
3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616145
2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233988
2-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616207
4-hydroxy-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 103865483

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide (CID 107185838) is 5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide is CCCc1cc(NC(=O)c2cc(N)cc(Cl)c2Cl)n[nH]1.
What is the InChIKey of 5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is CCXZSMWUONPHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-2-3-8-6-11(19-18-8)17-13(20)9-4-7(16)5-10(14)12(9)15/h4-6H,2-3,16H2,1H3,(H2,17,18,19,20).
What are the key properties of 5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 313.19 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 107185838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).