3-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)phenyl]pyrazole-5-carboxamide

C20H14Cl4N6O2 — CID 122592459

IUPAC3-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)phenyl]pyrazole-5-carboxamide
SMILESCC1(C)N=C(c2cc(Cl)cc(Cl)c2NC(=O)c2cc(Cl)nn2-c2ncccc2Cl)NC1=O
InChIInChI=1S/C20H14Cl4N6O2/c1-20(2)19(32)27-16(28-20)10-6-9(21)7-12(23)15(10)26-18(31)13-8-14(24)29-30(13)17-11(22)4-3-5-25-17/h3-8H,1-2H3,(H,26,31)(H,27,28,32)
InChIKeyBFJJBYNVAAYBNY-UHFFFAOYSA-N
MW512.18 g/mol
LogP4.79
Rot. Bonds4

About 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)phenyl]pyrazole-5-carboxamide

3-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)phenyl]pyrazole-5-carboxamide (PubChem CID 122592459) has the molecular formula C20H14Cl4N6O2 and a molecular weight of 512.18 g/mol. Its IUPAC name is 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)phenyl]pyrazole-5-carboxamide
PubChem CID122592459
Molecular FormulaC20H14Cl4N6O2
Molecular Weight512.18 g/mol
Exact Mass509.99
IUPAC Name3-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)phenyl]pyrazole-5-carboxamide
SMILESCC1(C)N=C(c2cc(Cl)cc(Cl)c2NC(=O)c2cc(Cl)nn2-c2ncccc2Cl)NC1=O
InChIInChI=1S/C20H14Cl4N6O2/c1-20(2)19(32)27-16(28-20)10-6-9(21)7-12(23)15(10)26-18(31)13-8-14(24)29-30(13)17-11(22)4-3-5-25-17/h3-8H,1-2H3,(H,26,31)(H,27,28,32)
InChIKeyBFJJBYNVAAYBNY-UHFFFAOYSA-N
XLogP4.79
TPSA101.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.18
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorobenzoyl chloride
CID 175324112
3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide
CID 141260277
3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide
CID 139400912
3-chloro-N',1-bis(3-chloro-2-pyridinyl)pyrazole-5-carbohydrazide
CID 57381412
6,8-dichloro-1-[3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-2,3-dihydroquinazolin-4-one
CID 10217097
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-[hydroxy(methylamino)methyl]phenyl]pyrazole-5-carboxamide
CID 163577544
ethyl N-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorophenyl]carbamate
CID 140670356
3-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chlorobenzoyl chloride
CID 175324124
N-[2-bromo-4-chloro-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202211
1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-[hydroxy(methylamino)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 163641538
2-bromoethyl N-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorophenyl]carbamate
CID 140670367
N-[4-chloro-2-ethyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 143049906

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)phenyl]pyrazole-5-carboxamide?
The IUPAC name of 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)phenyl]pyrazole-5-carboxamide (CID 122592459) is 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)phenyl]pyrazole-5-carboxamide is CC1(C)N=C(c2cc(Cl)cc(Cl)c2NC(=O)c2cc(Cl)nn2-c2ncccc2Cl)NC1=O.
What is the InChIKey of 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)phenyl]pyrazole-5-carboxamide?
The InChIKey is BFJJBYNVAAYBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl4N6O2/c1-20(2)19(32)27-16(28-20)10-6-9(21)7-12(23)15(10)26-18(31)13-8-14(24)29-30(13)17-11(22)4-3-5-25-17/h3-8H,1-2H3,(H,26,31)(H,27,28,32).
What are the key properties of 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)phenyl]pyrazole-5-carboxamide?
3-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)phenyl]pyrazole-5-carboxamide has a molecular weight of 512.18 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 122592459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).