4-[3-[5-(hydroxymethyl)-2-methylanilino]-1H-pyrazol-5-yl]phenol

C17H17N3O2 — CID 139405792

IUPAC4-[3-[5-(hydroxymethyl)-2-methylanilino]-1H-pyrazol-5-yl]phenol
SMILESCc1ccc(CO)cc1Nc1cc(-c2ccc(O)cc2)[nH]n1
InChIInChI=1S/C17H17N3O2/c1-11-2-3-12(10-21)8-15(11)18-17-9-16(19-20-17)13-4-6-14(22)7-5-13/h2-9,21-22H,10H2,1H3,(H2,18,19,20)
InChIKeyMGRAIKXIHBCNSQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.33
Rot. Bonds4

About 4-[3-[5-(hydroxymethyl)-2-methylanilino]-1H-pyrazol-5-yl]phenol

4-[3-[5-(hydroxymethyl)-2-methylanilino]-1H-pyrazol-5-yl]phenol (PubChem CID 139405792) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[3-[5-(hydroxymethyl)-2-methylanilino]-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-[5-(hydroxymethyl)-2-methylanilino]-1H-pyrazol-5-yl]phenol
PubChem CID139405792
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-[3-[5-(hydroxymethyl)-2-methylanilino]-1H-pyrazol-5-yl]phenol
SMILESCc1ccc(CO)cc1Nc1cc(-c2ccc(O)cc2)[nH]n1
InChIInChI=1S/C17H17N3O2/c1-11-2-3-12(10-21)8-15(11)18-17-9-16(19-20-17)13-4-6-14(22)7-5-13/h2-9,21-22H,10H2,1H3,(H2,18,19,20)
InChIKeyMGRAIKXIHBCNSQ-UHFFFAOYSA-N
XLogP3.33
TPSA81.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-[4-(4-bromophenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol
CID 139405684
4-[[5-(6-chloro-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methylphenol
CID 139391743
3-methyl-4-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol
CID 175799385
(3-amino-4-methylphenyl)methanol;3,3-bis(methylsulfanyl)-1-(4-nitrophenyl)prop-2-en-1-one;(Z)-3-[5-(hydroxymethyl)-2-methylanilino]-3-methylsulfanyl-1-(4-nitrophenyl)prop-2-en-1-one;[4-methyl-3-[[5-(4-nitrophenyl)-1H-pyrazol-3-yl]amino]phenyl]methanol
CID 159996466
N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
CID 59363907
4-[4-[3-[4-[(cyclopropylmethylamino)methyl]anilino]-1H-pyrazol-5-yl]phenyl]benzene-1,3-diol
CID 135483511
2-fluoro-4-[3-(2-fluoro-4-hydroxyanilino)-1H-pyrazol-5-yl]phenol
CID 139391905
2,2-dimethyl-N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]propane-1,3-diamine
CID 24954229
5-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine
CID 134910071
N-[5-[[6-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide
CID 68915471
[4-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenyl]methanol
CID 123769637
1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea
CID 35591898

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(hydroxymethyl)-2-methylanilino]-1H-pyrazol-5-yl]phenol?
The IUPAC name of 4-[3-[5-(hydroxymethyl)-2-methylanilino]-1H-pyrazol-5-yl]phenol (CID 139405792) is 4-[3-[5-(hydroxymethyl)-2-methylanilino]-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 4-[3-[5-(hydroxymethyl)-2-methylanilino]-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 4-[3-[5-(hydroxymethyl)-2-methylanilino]-1H-pyrazol-5-yl]phenol is Cc1ccc(CO)cc1Nc1cc(-c2ccc(O)cc2)[nH]n1.
What is the InChIKey of 4-[3-[5-(hydroxymethyl)-2-methylanilino]-1H-pyrazol-5-yl]phenol?
The InChIKey is MGRAIKXIHBCNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-2-3-12(10-21)8-15(11)18-17-9-16(19-20-17)13-4-6-14(22)7-5-13/h2-9,21-22H,10H2,1H3,(H2,18,19,20).
What are the key properties of 4-[3-[5-(hydroxymethyl)-2-methylanilino]-1H-pyrazol-5-yl]phenol?
4-[3-[5-(hydroxymethyl)-2-methylanilino]-1H-pyrazol-5-yl]phenol has a molecular weight of 295.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(hydroxymethyl)-2-methylanilino]-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 139405792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).