4-chloro-1-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-5-carboxamide

C15H12ClN3O3 — CID 6469392

IUPAC4-chloro-1-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-5-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3c(Cl)cnn3C)ccc12
InChIInChI=1S/C15H12ClN3O3/c1-8-5-13(20)22-12-6-9(3-4-10(8)12)18-15(21)14-11(16)7-17-19(14)2/h3-7H,1-2H3,(H,18,21)
InChIKeyWWIYJPWEEWMXRS-UHFFFAOYSA-N
MW317.73 g/mol
LogP2.74
Rot. Bonds2

About 4-chloro-1-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-5-carboxamide

4-chloro-1-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-5-carboxamide (PubChem CID 6469392) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-5-carboxamide
PubChem CID6469392
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC Name4-chloro-1-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-5-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3c(Cl)cnn3C)ccc12
InChIInChI=1S/C15H12ClN3O3/c1-8-5-13(20)22-12-6-9(3-4-10(8)12)18-15(21)14-11(16)7-17-19(14)2/h3-7H,1-2H3,(H,18,21)
InChIKeyWWIYJPWEEWMXRS-UHFFFAOYSA-N
XLogP2.74
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-nitro-N-[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]-1H-pyrazole-3-carboxamide
CID 1001330
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 5296270
4-bromo-1-methyl-N-[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]-1H-pyrazole-3-carboxamide
CID 1017906
2-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-(4-methyl-2-oxo-2H-chromen-7-yl)hydrazinecarbothioamide
CID 2209136
4-chloro-N-(4-methoxy-2-methylphenyl)-2-methylpyrazole-3-carboxamide
CID 1223840
1-methyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-1H-pyrazole-5-carboxamide
CID 6467183
[2-[(E)-[(4-chloro-2-methylpyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 6874154
1-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-4-carboxamide
CID 3588369
1-ethyl-3-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-4-carboxamide
CID 4078202
4-iodo-1-methyl-N-[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]-1H-pyrazole-5-carboxamide
CID 1000931
4-chloro-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide
CID 15008423
(E)-3-(1-methylpyrazol-4-yl)-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]prop-2-enamide
CID 1017815

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-5-carboxamide (CID 6469392) is 4-chloro-1-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-5-carboxamide is Cc1cc(=O)oc2cc(NC(=O)c3c(Cl)cnn3C)ccc12.
What is the InChIKey of 4-chloro-1-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-5-carboxamide?
The InChIKey is WWIYJPWEEWMXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c1-8-5-13(20)22-12-6-9(3-4-10(8)12)18-15(21)14-11(16)7-17-19(14)2/h3-7H,1-2H3,(H,18,21).
What are the key properties of 4-chloro-1-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-5-carboxamide?
4-chloro-1-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-5-carboxamide has a molecular weight of 317.73 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 6469392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).