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

C12H12Cl2N4O — CID 104616057

IUPAC3-amino-4,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
SMILESCCc1cc(NC(=O)c2cc(N)c(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C12H12Cl2N4O/c1-2-7-5-10(18-17-7)16-12(19)6-3-8(13)11(14)9(15)4-6/h3-5H,2,15H2,1H3,(H2,16,17,18,19)
InChIKeyPDYABGQQGUCKMP-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.11
Rot. Bonds3

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

3-amino-4,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide (PubChem CID 104616057) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
PubChem CID104616057
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name3-amino-4,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
SMILESCCc1cc(NC(=O)c2cc(N)c(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C12H12Cl2N4O/c1-2-7-5-10(18-17-7)16-12(19)6-3-8(13)11(14)9(15)4-6/h3-5H,2,15H2,1H3,(H2,16,17,18,19)
InChIKeyPDYABGQQGUCKMP-UHFFFAOYSA-N
XLogP3.11
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.11
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

3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
CID 113263522
3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 104616103
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433320
2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433751
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 115640654
4-(carbamoylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 115593799
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 106512250
2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide
CID 107075978
5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 107185838
N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide
CID 47423483
4-(dimethylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423237

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide (CID 104616057) is 3-amino-4,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide is CCc1cc(NC(=O)c2cc(N)c(Cl)c(Cl)c2)n[nH]1.
What is the InChIKey of 3-amino-4,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is PDYABGQQGUCKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-2-7-5-10(18-17-7)16-12(19)6-3-8(13)11(14)9(15)4-6/h3-5H,2,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 3-amino-4,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
3-amino-4,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 299.16 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 104616057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).