4-chloro-1-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-5-carboxamide

C15H9ClF3N3O3 — CID 17026923

IUPAC4-chloro-1-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1
InChIInChI=1S/C15H9ClF3N3O3/c1-22-13(10(16)6-20-22)14(24)21-7-2-3-8-9(15(17,18)19)5-12(23)25-11(8)4-7/h2-6H,1H3,(H,21,24)
InChIKeyRVLIDRNSDQDARD-UHFFFAOYSA-N
MW371.70 g/mol
LogP3.45
Rot. Bonds2

About 4-chloro-1-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-5-carboxamide

4-chloro-1-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-5-carboxamide (PubChem CID 17026923) has the molecular formula C15H9ClF3N3O3 and a molecular weight of 371.70 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-5-carboxamide
PubChem CID17026923
Molecular FormulaC15H9ClF3N3O3
Molecular Weight371.70 g/mol
Exact Mass371.03
IUPAC Name4-chloro-1-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1
InChIInChI=1S/C15H9ClF3N3O3/c1-22-13(10(16)6-20-22)14(24)21-7-2-3-8-9(15(17,18)19)5-12(23)25-11(8)4-7/h2-6H,1H3,(H,21,24)
InChIKeyRVLIDRNSDQDARD-UHFFFAOYSA-N
XLogP3.45
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.70
LogP ≤ 53.45
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-bromo-1-methyl-N-[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]-1H-pyrazole-3-carboxamide
CID 1017906
4-chloro-2-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide
CID 6469392
2-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-(4-methyl-2-oxo-2H-chromen-7-yl)hydrazinecarbothioamide
CID 2209136
1-methyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-1H-pyrazole-5-carboxamide
CID 6467183
US10975037, Example 129
CID 153296196
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
3-iodo-1-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-4-carboxamide
CID 166634174
3-bromo-1-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-4-carboxamide
CID 166634786
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-5-carboxamide (CID 17026923) is 4-chloro-1-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1.
What is the InChIKey of 4-chloro-1-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-5-carboxamide?
The InChIKey is RVLIDRNSDQDARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O3/c1-22-13(10(16)6-20-22)14(24)21-7-2-3-8-9(15(17,18)19)5-12(23)25-11(8)4-7/h2-6H,1H3,(H,21,24).
What are the key properties of 4-chloro-1-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-5-carboxamide?
4-chloro-1-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-5-carboxamide has a molecular weight of 371.70 g/mol, XLogP of 3.45, 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-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 17026923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).