2,6-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide

C13H11Cl2N3O — CID 5330985

IUPAC2,6-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H11Cl2N3O/c14-8-2-1-3-9(15)12(8)13(19)16-11-6-10(17-18-11)7-4-5-7/h1-3,6-7H,4-5H2,(H2,16,17,18,19)
InChIKeyDYPLZZPUFHEBRR-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.85
Rot. Bonds3

About 2,6-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide

2,6-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide (PubChem CID 5330985) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 2,6-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
PubChem CID5330985
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name2,6-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H11Cl2N3O/c14-8-2-1-3-9(15)12(8)13(19)16-11-6-10(17-18-11)7-4-5-7/h1-3,6-7H,4-5H2,(H2,16,17,18,19)
InChIKeyDYPLZZPUFHEBRR-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 2,6-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide (CID 5330985) is 2,6-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide is O=C(Nc1cc(C2CC2)[nH]n1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is DYPLZZPUFHEBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-8-2-1-3-9(15)12(8)13(19)16-11-6-10(17-18-11)7-4-5-7/h1-3,6-7H,4-5H2,(H2,16,17,18,19).
What are the key properties of 2,6-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide?
2,6-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 2,6-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 5330985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).