[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid

C17H15FN4O3 — CID 139392003

IUPAC[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid
SMILESCc1cc(NC(=O)O)ccc1Nc1cc(-c2ccc(O)c(F)c2)[nH]n1
InChIInChI=1S/C17H15FN4O3/c1-9-6-11(19-17(24)25)3-4-13(9)20-16-8-14(21-22-16)10-2-5-15(23)12(18)7-10/h2-8,19,23H,1H3,(H,24,25)(H2,20,21,22)
InChIKeySDFQMEBMCQRBIT-UHFFFAOYSA-N
MW342.33 g/mol
LogP4.06
Rot. Bonds4

About [4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid

[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid (PubChem CID 139392003) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is [4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid.

Molecular Properties

Compound Name[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid
PubChem CID139392003
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Name[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid
SMILESCc1cc(NC(=O)O)ccc1Nc1cc(-c2ccc(O)c(F)c2)[nH]n1
InChIInChI=1S/C17H15FN4O3/c1-9-6-11(19-17(24)25)3-4-13(9)20-16-8-14(21-22-16)10-2-5-15(23)12(18)7-10/h2-8,19,23H,1H3,(H,24,25)(H2,20,21,22)
InChIKeySDFQMEBMCQRBIT-UHFFFAOYSA-N
XLogP4.06
TPSA110.27 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 54.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

Anilinopyrazole deriv. 1f
CID 135435019
4,4'-{3-[(4-Hydroxyphenyl)amino]-1h-Pyrazole-4,5-Diyl}diphenol
CID 135566832
4-{5-[(4-Hydroxyphenyl)amino]-1h-Pyrazol-3-Yl}phenol
CID 135567152
4-(3-((1H-indazol-5-yl)amino)-1H-pyrazol-5-yl)-2-fluorophenol
CID 139391755
N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]acetamide
CID 137656444
4-(3-((1H-indazol-5-yl)amino)-1H-pyrazol-5-yl)phenol
CID 139391880
1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 25224892
2-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-5-methylphenol
CID 139391695
4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-(trifluoromethyl)phenol
CID 139391706
4-[[5-(4-aminophenyl)-4-fluoro-1H-pyrazol-3-yl]amino]-3-methylphenol
CID 139391741
4-[[5-[4-(dimethylamino)phenyl]-4-fluoro-1H-pyrazol-3-yl]amino]-3-methylphenol
CID 139391742
[4-[[5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid
CID 139391803

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid?
The IUPAC name of [4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid (CID 139392003) is [4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid.
What is the SMILES notation for [4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid?
The canonical SMILES for [4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid is Cc1cc(NC(=O)O)ccc1Nc1cc(-c2ccc(O)c(F)c2)[nH]n1.
What is the InChIKey of [4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid?
The InChIKey is SDFQMEBMCQRBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-9-6-11(19-17(24)25)3-4-13(9)20-16-8-14(21-22-16)10-2-5-15(23)12(18)7-10/h2-8,19,23H,1H3,(H,24,25)(H2,20,21,22).
What are the key properties of [4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid?
[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid has a molecular weight of 342.33 g/mol, XLogP of 4.06, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid is sourced from PubChem (CID 139392003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).