3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide

C15H17Cl2N3O — CID 30954663

IUPAC3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H17Cl2N3O/c1-10-8-11(2)20(19-10)7-3-6-18-15(21)12-4-5-13(16)14(17)9-12/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,21)
InChIKeyRGFOBRWUMMBPIT-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.63
Rot. Bonds5

About 3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide

3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide (PubChem CID 30954663) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
PubChem CID30954663
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H17Cl2N3O/c1-10-8-11(2)20(19-10)7-3-6-18-15(21)12-4-5-13(16)14(17)9-12/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,21)
InChIKeyRGFOBRWUMMBPIT-UHFFFAOYSA-N
XLogP3.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.63
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

3-bromo-4-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 103841414
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 115597258
4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide
CID 103830443
3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 43470690
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(methylsulfanylmethyl)benzamide
CID 30881756
2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-4-carboxamide
CID 115599440
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide
CID 77095486
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654
2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 114536102
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 35525667
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
CID 19293707

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide (CID 30954663) is 3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide is Cc1cc(C)n(CCCNC(=O)c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The InChIKey is RGFOBRWUMMBPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-10-8-11(2)20(19-10)7-3-6-18-15(21)12-4-5-13(16)14(17)9-12/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,21).
What are the key properties of 3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide has a molecular weight of 326.23 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 30954663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).