3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide

C17H16Cl3N5O — CID 19509582

IUPAC3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide
SMILESCc1nn(CCCNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c(Cl)c1Cl
InChIInChI=1S/C17H16Cl3N5O/c1-10-15(19)16(20)25(24-10)8-2-7-21-17(26)14-9-13(22-23-14)11-3-5-12(18)6-4-11/h3-6,9H,2,7-8H2,1H3,(H,21,26)(H,22,23)
InChIKeyLDFSQAWAJUBMRQ-UHFFFAOYSA-N
MW412.71 g/mol
LogP4.36
Rot. Bonds6

About 3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide (PubChem CID 19509582) has the molecular formula C17H16Cl3N5O and a molecular weight of 412.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide
PubChem CID19509582
Molecular FormulaC17H16Cl3N5O
Molecular Weight412.71 g/mol
Exact Mass411.04
IUPAC Name3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide
SMILESCc1nn(CCCNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c(Cl)c1Cl
InChIInChI=1S/C17H16Cl3N5O/c1-10-15(19)16(20)25(24-10)8-2-7-21-17(26)14-9-13(22-23-14)11-3-5-12(18)6-4-11/h3-6,9H,2,7-8H2,1H3,(H,21,26)(H,22,23)
InChIKeyLDFSQAWAJUBMRQ-UHFFFAOYSA-N
XLogP4.36
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.71
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513158
3-(1,3-benzodioxol-5-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19513466
4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide
CID 19332207
3-(4-chlorophenyl)-N-octadecyl-1H-pyrazole-5-carboxamide
CID 19509334
3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19513164
1-[(4-chlorophenoxy)methyl]-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19280407
3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide
CID 119066173
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2,3,4-trimethoxybenzamide
CID 19332159
2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 19332081
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 19509496
1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea
CID 19334062

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide (CID 19509582) is 3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide is Cc1nn(CCCNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c(Cl)c1Cl.
What is the InChIKey of 3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide?
The InChIKey is LDFSQAWAJUBMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N5O/c1-10-15(19)16(20)25(24-10)8-2-7-21-17(26)14-9-13(22-23-14)11-3-5-12(18)6-4-11/h3-6,9H,2,7-8H2,1H3,(H,21,26)(H,22,23).
What are the key properties of 3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 412.71 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).