6-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide

C21H17ClN4O3 — CID 17374392

IUPAC6-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C21H17ClN4O3/c1-12-18(21(28)26(25(12)2)15-6-4-3-5-7-15)24-20(27)16-11-13-10-14(22)8-9-17(13)29-19(16)23/h3-11,23H,1-2H3,(H,24,27)/b23-19-
InChIKeyYMTYHNPMJWSYOH-NMWGTECJSA-N
MW408.85 g/mol
LogP3.62
Rot. Bonds3

About 6-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide

6-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide (PubChem CID 17374392) has the molecular formula C21H17ClN4O3 and a molecular weight of 408.85 g/mol. Its IUPAC name is 6-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide
PubChem CID17374392
Molecular FormulaC21H17ClN4O3
Molecular Weight408.85 g/mol
Exact Mass408.10
IUPAC Name6-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C21H17ClN4O3/c1-12-18(21(28)26(25(12)2)15-6-4-3-5-7-15)24-20(27)16-11-13-10-14(22)8-9-17(13)29-19(16)23/h3-11,23H,1-2H3,(H,24,27)/b23-19-
InChIKeyYMTYHNPMJWSYOH-NMWGTECJSA-N
XLogP3.62
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iodobenzamide
CID 39705744
6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide
CID 17373603
3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 789711
6-chloro-N-(2,3-dichlorophenyl)-2-iminochromene-3-carboxamide
CID 17373604
6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 19573962
N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide
CID 19574019
5-chloro-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-2-fluorobenzamide
CID 46615911
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
6-chloro-N-[2-[4-[2-[(6-chloro-2-iminochromene-3-carbonyl)amino]phenoxy]butoxy]phenyl]-2-iminochromene-3-carboxamide
CID 15467298
N-(2,4-dichlorophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]propanamide
CID 55351325
1-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethylpyrazole-4-carboxamide
CID 46588715
2-(2,5-dimethylbenzoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 26003123

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide (CID 17374392) is 6-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide is [H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 6-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide?
The InChIKey is YMTYHNPMJWSYOH-NMWGTECJSA-N. The full InChI is InChI=1S/C21H17ClN4O3/c1-12-18(21(28)26(25(12)2)15-6-4-3-5-7-15)24-20(27)16-11-13-10-14(22)8-9-17(13)29-19(16)23/h3-11,23H,1-2H3,(H,24,27)/b23-19-.
What are the key properties of 6-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide?
6-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide has a molecular weight of 408.85 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide is sourced from PubChem (CID 17374392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).