[4-[[5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid

C24H21FN4O3 — CID 139391803

IUPAC[4-[[5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid
SMILESCOc1ccc(F)c(-c2ccc(-c3cc(Nc4ccc(NC(=O)O)cc4C)n[nH]3)cc2)c1
InChIInChI=1S/C24H21FN4O3/c1-14-11-17(26-24(30)31)7-10-21(14)27-23-13-22(28-29-23)16-5-3-15(4-6-16)19-12-18(32-2)8-9-20(19)25/h3-13,26H,1-2H3,(H,30,31)(H2,27,28,29)
InChIKeyJQRUVGLPTTUPBJ-UHFFFAOYSA-N
MW432.46 g/mol
LogP6.03
Rot. Bonds6

About [4-[[5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid

[4-[[5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid (PubChem CID 139391803) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is [4-[[5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid.

Molecular Properties

Compound Name[4-[[5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid
PubChem CID139391803
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name[4-[[5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid
SMILESCOc1ccc(F)c(-c2ccc(-c3cc(Nc4ccc(NC(=O)O)cc4C)n[nH]3)cc2)c1
InChIInChI=1S/C24H21FN4O3/c1-14-11-17(26-24(30)31)7-10-21(14)27-23-13-22(28-29-23)16-5-3-15(4-6-16)19-12-18(32-2)8-9-20(19)25/h3-13,26H,1-2H3,(H,30,31)(H2,27,28,29)
InChIKeyJQRUVGLPTTUPBJ-UHFFFAOYSA-N
XLogP6.03
TPSA99.27 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.46
LogP ≤ 56.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [4-[[5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid with MolForge

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Related Compounds

2-(dimethylamino)-N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]acetamide
CID 139391901
N-[3-methyl-4-[[5-[4-(4-methylpyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]phenyl]acetamide
CID 139405494
2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 137436494
5-[4-(2,4-dimethoxyphenyl)phenyl]-N-phenyl-1H-pyrazol-3-amine
CID 59989230
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopropanamide
CID 110478313
1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea
CID 17112503
1-[5-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]ethanone
CID 175647166
4-[[5-[4-(4-bromophenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol
CID 139405684
6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid
CID 55130145
6-(4-chloro-2-methylanilino)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109358426
5-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine
CID 134910071
6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 115416925

Frequently Asked Questions

What is the IUPAC name of [4-[[5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid?
The IUPAC name of [4-[[5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid (CID 139391803) is [4-[[5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid.
What is the SMILES notation for [4-[[5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid?
The canonical SMILES for [4-[[5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid is COc1ccc(F)c(-c2ccc(-c3cc(Nc4ccc(NC(=O)O)cc4C)n[nH]3)cc2)c1.
What is the InChIKey of [4-[[5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid?
The InChIKey is JQRUVGLPTTUPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-14-11-17(26-24(30)31)7-10-21(14)27-23-13-22(28-29-23)16-5-3-15(4-6-16)19-12-18(32-2)8-9-20(19)25/h3-13,26H,1-2H3,(H,30,31)(H2,27,28,29).
What are the key properties of [4-[[5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid?
[4-[[5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid has a molecular weight of 432.46 g/mol, XLogP of 6.03, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid is sourced from PubChem (CID 139391803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).