N-cyclobutyl-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzamide

C20H17Cl2N3O — CID 46092129

IUPACN-cyclobutyl-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(NC1CCC1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1
InChIInChI=1S/C20H17Cl2N3O/c21-14-8-9-16(17(22)10-14)19-11-18(24-25-19)12-4-6-13(7-5-12)20(26)23-15-2-1-3-15/h4-11,15H,1-3H2,(H,23,26)(H,24,25)
InChIKeyKYLZVQRVANJZIT-UHFFFAOYSA-N
MW386.28 g/mol
LogP5.33
Rot. Bonds4

About N-cyclobutyl-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzamide

N-cyclobutyl-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzamide (PubChem CID 46092129) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is N-cyclobutyl-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclobutyl-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzamide
PubChem CID46092129
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC NameN-cyclobutyl-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(NC1CCC1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1
InChIInChI=1S/C20H17Cl2N3O/c21-14-8-9-16(17(22)10-14)19-11-18(24-25-19)12-4-6-13(7-5-12)20(26)23-15-2-1-3-15/h4-11,15H,1-3H2,(H,23,26)(H,24,25)
InChIKeyKYLZVQRVANJZIT-UHFFFAOYSA-N
XLogP5.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of N-cyclobutyl-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzamide (CID 46092129) is N-cyclobutyl-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for N-cyclobutyl-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for N-cyclobutyl-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzamide is O=C(NC1CCC1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1.
What is the InChIKey of N-cyclobutyl-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is KYLZVQRVANJZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c21-14-8-9-16(17(22)10-14)19-11-18(24-25-19)12-4-6-13(7-5-12)20(26)23-15-2-1-3-15/h4-11,15H,1-3H2,(H,23,26)(H,24,25).
What are the key properties of N-cyclobutyl-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzamide?
N-cyclobutyl-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 386.28 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 46092129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).