4-[5-(4-hydroxyphenyl)-3-(1H-imidazol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol

C19H17N5O2 — CID 135567150

IUPAC4-[5-(4-hydroxyphenyl)-3-(1H-imidazol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol
SMILESOc1ccc(-c2[nH]nc(NCc3cnc[nH]3)c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H17N5O2/c25-15-5-1-12(2-6-15)17-18(13-3-7-16(26)8-4-13)23-24-19(17)21-10-14-9-20-11-22-14/h1-9,11,25-26H,10H2,(H,20,22)(H2,21,23,24)
InChIKeyQNVXUJBXEJSMQO-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.49
Rot. Bonds5

About 4-[5-(4-hydroxyphenyl)-3-(1H-imidazol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol

4-[5-(4-hydroxyphenyl)-3-(1H-imidazol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol (PubChem CID 135567150) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-[5-(4-hydroxyphenyl)-3-(1H-imidazol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-hydroxyphenyl)-3-(1H-imidazol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol
PubChem CID135567150
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name4-[5-(4-hydroxyphenyl)-3-(1H-imidazol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol
SMILESOc1ccc(-c2[nH]nc(NCc3cnc[nH]3)c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H17N5O2/c25-15-5-1-12(2-6-15)17-18(13-3-7-16(26)8-4-13)23-24-19(17)21-10-14-9-20-11-22-14/h1-9,11,25-26H,10H2,(H,20,22)(H2,21,23,24)
InChIKeyQNVXUJBXEJSMQO-UHFFFAOYSA-N
XLogP3.49
TPSA109.85 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-[5-(4-hydroxyphenyl)-3-(1H-imidazol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1h-Imidazol-4-Yl)-3-(5-Ethyl-2,4-Dihydroxy-Phenyl)-1h-Pyrazole
CID 656975
4-(1h-Pyrazol-5-Yl)-2-{4-[(3s)-Pyrrolidin-3-Ylamino]quinazolin-2-Yl}phenol
CID 135566382
4''-(5-{6-[(cyclopropylmethyl-amino)-methyl]-pyridin-3-ylamino}-1H-pyrazol-3-yl)-biphenyl-2,4-diol
CID 135440394
4-[4-[3-[[6-[(butan-2-ylamino)methyl]-3-pyridinyl]amino]-1H-pyrazol-5-yl]phenyl]benzene-1,3-diol
CID 136034785
3-ethyl-4-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenol
CID 137645020
1-[3-(4-hydroxyphenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 14660412
3-(3-Indolylmethyl)-6-(3-hydroxylphenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57406046
4-[6-[(4-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135961524
(s)-4-(1h-Pyrazol-4-yl)-2-(4-(pyrrolidin-3-ylamino)quinazolin-2-yl)phenol
CID 136068537
2-[3-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 155772509
4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol
CID 164611345
[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea
CID 164619498

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-hydroxyphenyl)-3-(1H-imidazol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol?
The IUPAC name of 4-[5-(4-hydroxyphenyl)-3-(1H-imidazol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol (CID 135567150) is 4-[5-(4-hydroxyphenyl)-3-(1H-imidazol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol.
What is the SMILES notation for 4-[5-(4-hydroxyphenyl)-3-(1H-imidazol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol?
The canonical SMILES for 4-[5-(4-hydroxyphenyl)-3-(1H-imidazol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol is Oc1ccc(-c2[nH]nc(NCc3cnc[nH]3)c2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[5-(4-hydroxyphenyl)-3-(1H-imidazol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol?
The InChIKey is QNVXUJBXEJSMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c25-15-5-1-12(2-6-15)17-18(13-3-7-16(26)8-4-13)23-24-19(17)21-10-14-9-20-11-22-14/h1-9,11,25-26H,10H2,(H,20,22)(H2,21,23,24).
What are the key properties of 4-[5-(4-hydroxyphenyl)-3-(1H-imidazol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol?
4-[5-(4-hydroxyphenyl)-3-(1H-imidazol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol has a molecular weight of 347.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-hydroxyphenyl)-3-(1H-imidazol-5-ylmethylamino)-1H-pyrazol-4-yl]phenol is sourced from PubChem (CID 135567150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).