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

C13H14Cl2N4O — CID 115868449

IUPAC4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCC(C)c1cc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)n[nH]1
InChIInChI=1S/C13H14Cl2N4O/c1-6(2)10-5-11(19-18-10)17-13(20)7-3-8(14)12(16)9(15)4-7/h3-6H,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyUDRDFZQRXUEZJA-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.67
Rot. Bonds3

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

4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 115868449) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID115868449
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCC(C)c1cc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)n[nH]1
InChIInChI=1S/C13H14Cl2N4O/c1-6(2)10-5-11(19-18-10)17-13(20)7-3-8(14)12(16)9(15)4-7/h3-6H,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyUDRDFZQRXUEZJA-UHFFFAOYSA-N
XLogP3.67
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.67
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

5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 104616320
2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 47404862
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404997
2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404950
4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 5330993
4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116786983
4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115592993
N-(5-propan-2-yl-1H-pyrazol-3-yl)naphthalene-2-carboxamide
CID 47935018
2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 104616261
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 115976344
2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 103633643

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (CID 115868449) is 4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is CC(C)c1cc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)n[nH]1.
What is the InChIKey of 4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is UDRDFZQRXUEZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-6(2)10-5-11(19-18-10)17-13(20)7-3-8(14)12(16)9(15)4-7/h3-6H,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 313.19 g/mol, XLogP of 3.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 115868449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).