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

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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).