2-[5-[4-(2H-tetrazol-5-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol

C16H14N6O — CID 139267186

IUPAC2-[5-[4-(2H-tetrazol-5-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESOc1ccccc1C1=NNC(c2ccc(-c3nn[nH]n3)cc2)C1
InChIInChI=1S/C16H14N6O/c23-15-4-2-1-3-12(15)14-9-13(17-18-14)10-5-7-11(8-6-10)16-19-21-22-20-16/h1-8,13,17,23H,9H2,(H,19,20,21,22)
InChIKeyGFBPRRHRFQAVLH-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.01
Rot. Bonds3

About 2-[5-[4-(2H-tetrazol-5-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol

2-[5-[4-(2H-tetrazol-5-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol (PubChem CID 139267186) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-[5-[4-(2H-tetrazol-5-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-[4-(2H-tetrazol-5-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol
PubChem CID139267186
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name2-[5-[4-(2H-tetrazol-5-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESOc1ccccc1C1=NNC(c2ccc(-c3nn[nH]n3)cc2)C1
InChIInChI=1S/C16H14N6O/c23-15-4-2-1-3-12(15)14-9-13(17-18-14)10-5-7-11(8-6-10)16-19-21-22-20-16/h1-8,13,17,23H,9H2,(H,19,20,21,22)
InChIKeyGFBPRRHRFQAVLH-UHFFFAOYSA-N
XLogP2.01
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Related Compounds

5-[4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenyl]-2H-tetrazole
CID 139267128
5-[4-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]-2H-tetrazole
CID 139267181
2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3830634
2-[(5S)-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135674916
2-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135604582
4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135602935
CID 175020702
CID 175020702
1-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol
CID 137156212
5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole
CID 146430659
3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 14956433
2-[(5S)-5-(5-chloro-1-methylimidazol-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 911317
5-[3-(2-methoxyphenyl)phenyl]-2H-tetrazole;2-[3-(2H-tetrazol-5-yl)phenyl]phenol
CID 161184284

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(2H-tetrazol-5-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The IUPAC name of 2-[5-[4-(2H-tetrazol-5-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol (CID 139267186) is 2-[5-[4-(2H-tetrazol-5-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 2-[5-[4-(2H-tetrazol-5-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 2-[5-[4-(2H-tetrazol-5-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol is Oc1ccccc1C1=NNC(c2ccc(-c3nn[nH]n3)cc2)C1.
What is the InChIKey of 2-[5-[4-(2H-tetrazol-5-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The InChIKey is GFBPRRHRFQAVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c23-15-4-2-1-3-12(15)14-9-13(17-18-14)10-5-7-11(8-6-10)16-19-21-22-20-16/h1-8,13,17,23H,9H2,(H,19,20,21,22).
What are the key properties of 2-[5-[4-(2H-tetrazol-5-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol?
2-[5-[4-(2H-tetrazol-5-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol has a molecular weight of 306.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(2H-tetrazol-5-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 139267186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).