N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

C16H9Cl4N3O — CID 19513521

IUPACN-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C16H9Cl4N3O/c17-9-5-4-8(6-12(9)20)13-7-14(23-22-13)16(24)21-15-10(18)2-1-3-11(15)19/h1-7H,(H,21,24)(H,22,23)
InChIKeyXRANDNNFUUUGBQ-UHFFFAOYSA-N
MW401.08 g/mol
LogP5.94
Rot. Bonds3

About N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19513521) has the molecular formula C16H9Cl4N3O and a molecular weight of 401.08 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID19513521
Molecular FormulaC16H9Cl4N3O
Molecular Weight401.08 g/mol
Exact Mass398.95
IUPAC NameN-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C16H9Cl4N3O/c17-9-5-4-8(6-12(9)20)13-7-14(23-22-13)16(24)21-15-10(18)2-1-3-11(15)19/h1-7H,(H,21,24)(H,22,23)
InChIKeyXRANDNNFUUUGBQ-UHFFFAOYSA-N
XLogP5.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.08
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19513637
N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030505
N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53008238
3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 19513753
N-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087379
N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920191
3-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19513551
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513614
3-(3,4-dichlorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19513630
3-(3,4-dichlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 6888134
N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030500
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513655

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (CID 19513521) is N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1c(Cl)cccc1Cl)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is XRANDNNFUUUGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl4N3O/c17-9-5-4-8(6-12(9)20)13-7-14(23-22-13)16(24)21-15-10(18)2-1-3-11(15)19/h1-7H,(H,21,24)(H,22,23).
What are the key properties of N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 401.08 g/mol, XLogP of 5.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19513521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).