2-chloro-5-[[5-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonyl]amino]benzoic acid;methylcyclopropane

C22H22ClN3O4 — CID 143452050

IUPAC2-chloro-5-[[5-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonyl]amino]benzoic acid;methylcyclopropane
SMILESCC1CC1.Cn1ncc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1-c1ccccc1O
InChIInChI=1S/C18H14ClN3O4.C4H8/c1-22-16(11-4-2-3-5-15(11)23)13(9-20-22)17(24)21-10-6-7-14(19)12(8-10)18(25)26;1-4-2-3-4/h2-9,23H,1H3,(H,21,24)(H,25,26);4H,2-3H2,1H3
InChIKeyDUGSWCFUECJPRJ-UHFFFAOYSA-N
MW427.89 g/mol
LogP4.81
Rot. Bonds4

About 2-chloro-5-[[5-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonyl]amino]benzoic acid;methylcyclopropane

2-chloro-5-[[5-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonyl]amino]benzoic acid;methylcyclopropane (PubChem CID 143452050) has the molecular formula C22H22ClN3O4 and a molecular weight of 427.89 g/mol. Its IUPAC name is 2-chloro-5-[[5-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonyl]amino]benzoic acid;methylcyclopropane.

Molecular Properties

Compound Name2-chloro-5-[[5-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonyl]amino]benzoic acid;methylcyclopropane
PubChem CID143452050
Molecular FormulaC22H22ClN3O4
Molecular Weight427.89 g/mol
Exact Mass427.13
IUPAC Name2-chloro-5-[[5-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonyl]amino]benzoic acid;methylcyclopropane
SMILESCC1CC1.Cn1ncc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1-c1ccccc1O
InChIInChI=1S/C18H14ClN3O4.C4H8/c1-22-16(11-4-2-3-5-15(11)23)13(9-20-22)17(24)21-10-6-7-14(19)12(8-10)18(25)26;1-4-2-3-4/h2-9,23H,1H3,(H,21,24)(H,25,26);4H,2-3H2,1H3
InChIKeyDUGSWCFUECJPRJ-UHFFFAOYSA-N
XLogP4.81
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-[[5-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonyl]amino]benzoic acid;methylcyclopropane with MolForge

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Related Compounds

5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 44823916
2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 61398585
N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 63935503
2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343292
2-[(3-acetyl-4-chlorophenyl)carbamoyl]benzoic acid
CID 85472718
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide
CID 112846073
2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
CID 60749367
5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 106500152
5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095959
methyl 2-chloro-5-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]benzoate
CID 34163624
2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 114917869
2-chloro-N-methyl-5-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]benzamide
CID 55836034

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[5-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonyl]amino]benzoic acid;methylcyclopropane?
The IUPAC name of 2-chloro-5-[[5-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonyl]amino]benzoic acid;methylcyclopropane (CID 143452050) is 2-chloro-5-[[5-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonyl]amino]benzoic acid;methylcyclopropane.
What is the SMILES notation for 2-chloro-5-[[5-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonyl]amino]benzoic acid;methylcyclopropane?
The canonical SMILES for 2-chloro-5-[[5-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonyl]amino]benzoic acid;methylcyclopropane is CC1CC1.Cn1ncc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1-c1ccccc1O.
What is the InChIKey of 2-chloro-5-[[5-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonyl]amino]benzoic acid;methylcyclopropane?
The InChIKey is DUGSWCFUECJPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4.C4H8/c1-22-16(11-4-2-3-5-15(11)23)13(9-20-22)17(24)21-10-6-7-14(19)12(8-10)18(25)26;1-4-2-3-4/h2-9,23H,1H3,(H,21,24)(H,25,26);4H,2-3H2,1H3.
What are the key properties of 2-chloro-5-[[5-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonyl]amino]benzoic acid;methylcyclopropane?
2-chloro-5-[[5-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonyl]amino]benzoic acid;methylcyclopropane has a molecular weight of 427.89 g/mol, XLogP of 4.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[5-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonyl]amino]benzoic acid;methylcyclopropane is sourced from PubChem (CID 143452050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).