4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-ethylpyrazole-3-carboxamide

C13H16Cl3N5O — CID 19263512

IUPAC4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NCCCn2nc(C)c(Cl)c2Cl)n1
InChIInChI=1S/C13H16Cl3N5O/c1-3-20-7-9(14)11(19-20)13(22)17-5-4-6-21-12(16)10(15)8(2)18-21/h7H,3-6H2,1-2H3,(H,17,22)
InChIKeyBBUQJYVIDQBNPW-UHFFFAOYSA-N
MW364.66 g/mol
LogP3.19
Rot. Bonds6

About 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-ethylpyrazole-3-carboxamide

4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-ethylpyrazole-3-carboxamide (PubChem CID 19263512) has the molecular formula C13H16Cl3N5O and a molecular weight of 364.66 g/mol. Its IUPAC name is 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-ethylpyrazole-3-carboxamide
PubChem CID19263512
Molecular FormulaC13H16Cl3N5O
Molecular Weight364.66 g/mol
Exact Mass363.04
IUPAC Name4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NCCCn2nc(C)c(Cl)c2Cl)n1
InChIInChI=1S/C13H16Cl3N5O/c1-3-20-7-9(14)11(19-20)13(22)17-5-4-6-21-12(16)10(15)8(2)18-21/h7H,3-6H2,1-2H3,(H,17,22)
InChIKeyBBUQJYVIDQBNPW-UHFFFAOYSA-N
XLogP3.19
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.66
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethylpyrazole-3-carboxamide
CID 19325915
4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide
CID 19332207
1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea
CID 19334062
2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide
CID 19525075
2,4-dichloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 19332140
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513158
1-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3-propylthiourea
CID 19573221
4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19506699
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2,3,4-trimethoxybenzamide
CID 19332159
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477748
3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19509582
4-chloro-1-ethyl-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]pyrazole-3-carboxamide
CID 171130907

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-ethylpyrazole-3-carboxamide (CID 19263512) is 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-ethylpyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)NCCCn2nc(C)c(Cl)c2Cl)n1.
What is the InChIKey of 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is BBUQJYVIDQBNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3N5O/c1-3-20-7-9(14)11(19-20)13(22)17-5-4-6-21-12(16)10(15)8(2)18-21/h7H,3-6H2,1-2H3,(H,17,22).
What are the key properties of 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-ethylpyrazole-3-carboxamide?
4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 364.66 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19263512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).