5-[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]-1H-indazole-3-carboxylic acid

C19H14FN5O4 — CID 167802563

IUPAC5-[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]-1H-indazole-3-carboxylic acid
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)Nc2ccc3[nH]nc(C(=O)O)c3c2)n1
InChIInChI=1S/C19H14FN5O4/c1-9-6-10(20)2-5-14(9)25-8-15(26)17(24-25)18(27)21-11-3-4-13-12(7-11)16(19(28)29)23-22-13/h2-8,26H,1H3,(H,21,27)(H,22,23)(H,28,29)
InChIKeyPXSVBSWMVPKLAG-UHFFFAOYSA-N
MW395.35 g/mol
LogP2.85
Rot. Bonds4

About 5-[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]-1H-indazole-3-carboxylic acid

5-[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]-1H-indazole-3-carboxylic acid (PubChem CID 167802563) has the molecular formula C19H14FN5O4 and a molecular weight of 395.35 g/mol. Its IUPAC name is 5-[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]-1H-indazole-3-carboxylic acid
PubChem CID167802563
Molecular FormulaC19H14FN5O4
Molecular Weight395.35 g/mol
Exact Mass395.10
IUPAC Name5-[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]-1H-indazole-3-carboxylic acid
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)Nc2ccc3[nH]nc(C(=O)O)c3c2)n1
InChIInChI=1S/C19H14FN5O4/c1-9-6-10(20)2-5-14(9)25-8-15(26)17(24-25)18(27)21-11-3-4-13-12(7-11)16(19(28)29)23-22-13/h2-8,26H,1H3,(H,21,27)(H,22,23)(H,28,29)
InChIKeyPXSVBSWMVPKLAG-UHFFFAOYSA-N
XLogP2.85
TPSA133.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
CID 71975746
N-(3-amino-2-methylpropyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
CID 119996780
N-(2-amino-2-ethylbutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
CID 119642881
N-(3-aminobutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
CID 119498479
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide
CID 111911950
1-(2,4-difluorophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43133814
5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide
CID 60904871
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide
CID 100644712
[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111912334
5-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-1H-indazole-3-carboxamide
CID 167878177
5-amino-N-(5-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide
CID 60904758
N-(1-aminohexan-2-yl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide;hydrochloride
CID 119667812

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]-1H-indazole-3-carboxylic acid?
The IUPAC name of 5-[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]-1H-indazole-3-carboxylic acid (CID 167802563) is 5-[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 5-[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]-1H-indazole-3-carboxylic acid?
The canonical SMILES for 5-[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]-1H-indazole-3-carboxylic acid is Cc1cc(F)ccc1-n1cc(O)c(C(=O)Nc2ccc3[nH]nc(C(=O)O)c3c2)n1.
What is the InChIKey of 5-[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]-1H-indazole-3-carboxylic acid?
The InChIKey is PXSVBSWMVPKLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O4/c1-9-6-10(20)2-5-14(9)25-8-15(26)17(24-25)18(27)21-11-3-4-13-12(7-11)16(19(28)29)23-22-13/h2-8,26H,1H3,(H,21,27)(H,22,23)(H,28,29).
What are the key properties of 5-[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]-1H-indazole-3-carboxylic acid?
5-[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]-1H-indazole-3-carboxylic acid has a molecular weight of 395.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 167802563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).