4-[4-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenylpyrazol-3-yl]phenol

C18H15N5O2 — CID 154572966

IUPAC4-[4-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenylpyrazol-3-yl]phenol
SMILESCOc1n[nH]c(-c2cn(-c3ccccc3)nc2-c2ccc(O)cc2)n1
InChIInChI=1S/C18H15N5O2/c1-25-18-19-17(20-21-18)15-11-23(13-5-3-2-4-6-13)22-16(15)12-7-9-14(24)10-8-12/h2-11,24H,1H3,(H,19,20,21)
InChIKeyQYSHGNSJQQKECX-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.04
Rot. Bonds4

About 4-[4-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenylpyrazol-3-yl]phenol

4-[4-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenylpyrazol-3-yl]phenol (PubChem CID 154572966) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 4-[4-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenylpyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[4-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenylpyrazol-3-yl]phenol
PubChem CID154572966
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name4-[4-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenylpyrazol-3-yl]phenol
SMILESCOc1n[nH]c(-c2cn(-c3ccccc3)nc2-c2ccc(O)cc2)n1
InChIInChI=1S/C18H15N5O2/c1-25-18-19-17(20-21-18)15-11-23(13-5-3-2-4-6-13)22-16(15)12-7-9-14(24)10-8-12/h2-11,24H,1H3,(H,19,20,21)
InChIKeyQYSHGNSJQQKECX-UHFFFAOYSA-N
XLogP3.04
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol
CID 155812966
3-ethoxy-5-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1H-1,2,4-triazole
CID 154572978
1,3,4-triphenylpyrazole
CID 555882
4-(3-methoxyphenyl)-1,3-diphenylpyrazole
CID 166447646
4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 122398732
[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112763166
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
4-(4-methoxyphenyl)-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1H-pyrimidin-2-one
CID 155811971
2-(1,3-diphenylpyrazol-4-yl)-1,3-benzothiazole
CID 46870644
3-(1,3-diphenylpyrazol-4-yl)pyridine
CID 166447662
1-but-3-en-2-yl-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole
CID 164624743
ethyl 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 118727560

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenylpyrazol-3-yl]phenol?
The IUPAC name of 4-[4-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenylpyrazol-3-yl]phenol (CID 154572966) is 4-[4-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenylpyrazol-3-yl]phenol.
What is the SMILES notation for 4-[4-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenylpyrazol-3-yl]phenol?
The canonical SMILES for 4-[4-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenylpyrazol-3-yl]phenol is COc1n[nH]c(-c2cn(-c3ccccc3)nc2-c2ccc(O)cc2)n1.
What is the InChIKey of 4-[4-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenylpyrazol-3-yl]phenol?
The InChIKey is QYSHGNSJQQKECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-25-18-19-17(20-21-18)15-11-23(13-5-3-2-4-6-13)22-16(15)12-7-9-14(24)10-8-12/h2-11,24H,1H3,(H,19,20,21).
What are the key properties of 4-[4-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenylpyrazol-3-yl]phenol?
4-[4-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenylpyrazol-3-yl]phenol has a molecular weight of 333.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenylpyrazol-3-yl]phenol is sourced from PubChem (CID 154572966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).