2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide

C14H15Cl2N3O — CID 110717146

IUPAC2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
SMILESCc1n[nH]c(C)c1CCNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3O/c1-8-11(9(2)19-18-8)5-6-17-14(20)12-4-3-10(15)7-13(12)16/h3-4,7H,5-6H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyFYDUOLRQCQFOME-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.31
Rot. Bonds4

About 2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide

2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 110717146) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID110717146
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
SMILESCc1n[nH]c(C)c1CCNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3O/c1-8-11(9(2)19-18-8)5-6-17-14(20)12-4-3-10(15)7-13(12)16/h3-4,7H,5-6H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyFYDUOLRQCQFOME-UHFFFAOYSA-N
XLogP3.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,3,4-trifluorobenzamide
CID 110717138
5-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methoxybenzamide
CID 91794027
N-[2-(2,4-dichlorophenyl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 110685590
2,4-dichloro-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzamide
CID 110415725
2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
CID 110717101
5-chloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2-dimethylbenzamide
CID 77079296
N-[2-(4-chlorophenyl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950837
N-[(2,5-dichlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654750
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742816
N-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 110695352
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2,4-dichloro-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 4147135

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide (CID 110717146) is 2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide is Cc1n[nH]c(C)c1CCNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is FYDUOLRQCQFOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-8-11(9(2)19-18-8)5-6-17-14(20)12-4-3-10(15)7-13(12)16/h3-4,7H,5-6H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide?
2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 312.20 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 110717146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).