2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide

C14H15Cl2N3O — CID 19323927

IUPAC2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
SMILESCc1ccn(CCCNC(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H15Cl2N3O/c1-10-5-8-19(18-10)7-2-6-17-14(20)12-4-3-11(15)9-13(12)16/h3-5,8-9H,2,6-7H2,1H3,(H,17,20)
InChIKeyCYRUQKQOFPFIPV-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.32
Rot. Bonds5

About 2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide

2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide (PubChem CID 19323927) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
PubChem CID19323927
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
SMILESCc1ccn(CCCNC(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H15Cl2N3O/c1-10-5-8-19(18-10)7-2-6-17-14(20)12-4-3-11(15)9-13(12)16/h3-5,8-9H,2,6-7H2,1H3,(H,17,20)
InChIKeyCYRUQKQOFPFIPV-UHFFFAOYSA-N
XLogP3.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-chlorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323842
2,4-dichloro-N-nonylbenzamide
CID 3596264
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2,4-dichloro-N-(4-methylpentyl)benzamide
CID 3288141
1-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide
CID 19323686
2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide
CID 25355760
3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19297941
N-[3-(3-methylpyrazol-1-yl)propyl]butanamide
CID 19323910
3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19297962
1-(3-chlorophenyl)-3-[3-(3-methylpyrazol-1-yl)propyl]thiourea
CID 19334374
2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide
CID 90620671
3-chloro-N-[3-(3-methylpyrazol-1-yl)propyl]-1-benzothiophene-2-carboxamide
CID 19323905

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide (CID 19323927) is 2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide is Cc1ccn(CCCNC(=O)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide?
The InChIKey is CYRUQKQOFPFIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-10-5-8-19(18-10)7-2-6-17-14(20)12-4-3-11(15)9-13(12)16/h3-5,8-9H,2,6-7H2,1H3,(H,17,20).
What are the key properties of 2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide?
2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide has a molecular weight of 312.20 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 19323927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).