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

C13H11Cl2N3O — CID 5330986

IUPAC3,4-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O/c14-9-4-3-8(5-10(9)15)13(19)16-12-6-11(17-18-12)7-1-2-7/h3-7H,1-2H2,(H2,16,17,18,19)
InChIKeyCSEWCIIPSWNSJT-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.85
Rot. Bonds3

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

3,4-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide (PubChem CID 5330986) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 3,4-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
PubChem CID5330986
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name3,4-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O/c14-9-4-3-8(5-10(9)15)13(19)16-12-6-11(17-18-12)7-1-2-7/h3-7H,1-2H2,(H2,16,17,18,19)
InChIKeyCSEWCIIPSWNSJT-UHFFFAOYSA-N
XLogP3.85
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide (CID 5330986) is 3,4-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide is O=C(Nc1cc(C2CC2)[nH]n1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is CSEWCIIPSWNSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-9-4-3-8(5-10(9)15)13(19)16-12-6-11(17-18-12)7-1-2-7/h3-7H,1-2H2,(H2,16,17,18,19).
What are the key properties of 3,4-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide?
3,4-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 296.16 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 5330986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).