4-[(3-fluoro-5-methoxyphenyl)methyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3H-1,2,4-triazole

C20H20FN5O2 — CID 138620914

IUPAC4-[(3-fluoro-5-methoxyphenyl)methyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3H-1,2,4-triazole
SMILESCOc1cc(F)cc(CN2C=NN(c3ccc(-c4cn[nH]c4)c(OC)c3)C2)c1
InChIInChI=1S/C20H20FN5O2/c1-27-18-6-14(5-16(21)7-18)11-25-12-24-26(13-25)17-3-4-19(20(8-17)28-2)15-9-22-23-10-15/h3-10,12H,11,13H2,1-2H3,(H,22,23)
InChIKeyCBTRDFLCESPDEE-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.46
Rot. Bonds6

About 4-[(3-fluoro-5-methoxyphenyl)methyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3H-1,2,4-triazole

4-[(3-fluoro-5-methoxyphenyl)methyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3H-1,2,4-triazole (PubChem CID 138620914) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 4-[(3-fluoro-5-methoxyphenyl)methyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3H-1,2,4-triazole.

Molecular Properties

Compound Name4-[(3-fluoro-5-methoxyphenyl)methyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3H-1,2,4-triazole
PubChem CID138620914
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name4-[(3-fluoro-5-methoxyphenyl)methyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3H-1,2,4-triazole
SMILESCOc1cc(F)cc(CN2C=NN(c3ccc(-c4cn[nH]c4)c(OC)c3)C2)c1
InChIInChI=1S/C20H20FN5O2/c1-27-18-6-14(5-16(21)7-18)11-25-12-24-26(13-25)17-3-4-19(20(8-17)28-2)15-9-22-23-10-15/h3-10,12H,11,13H2,1-2H3,(H,22,23)
InChIKeyCBTRDFLCESPDEE-UHFFFAOYSA-N
XLogP3.46
TPSA65.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(3-fluoro-5-methoxyphenyl)methyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3H-1,2,4-triazole 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-[(3,5-difluorophenyl)methyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3H-1,2,4-triazole
CID 138620949
1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidin-2-one
CID 158702947
1,3-diamino-1-[(3-fluoro-5-methoxyphenyl)methyl]-3-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]urea
CID 138656049
4-[(3-fluoro-5-methoxyphenyl)methyl]-6-[4-(1H-pyrazol-4-yl)phenyl]-4,6-diazaspiro[2.4]heptan-5-one
CID 139532433
4-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(1-phenylethyl)-3H-1,2,4-triazole
CID 138620924
2-[[4-[(3-fluoro-5-methoxyphenyl)methyl]-2-[4-(1H-pyrazol-4-yl)phenyl]-3H-1,2,4-triazol-5-yl]methylamino]propan-1-ol
CID 138620937
4-(2-methoxy-4-methylphenyl)-1H-pyrazole
CID 137381850
[4-[(3,5-dimethoxyphenyl)methyl]-2-[4-(1H-pyrazol-4-yl)phenyl]-3H-1,2,4-triazol-5-yl]methanol
CID 138620892
8-(2,2-difluoroethyl)-1-[(3-fluoro-5-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 139532300
3-[6-ethyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]-1-[(3-fluoro-5-methoxyphenyl)methyl]-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 155111673
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 118238979
1-[3-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-N-(3-fluoro-5-methoxyphenyl)-2-methylidenepyrrolidin-3-amine
CID 138567296

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-5-methoxyphenyl)methyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3H-1,2,4-triazole?
The IUPAC name of 4-[(3-fluoro-5-methoxyphenyl)methyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3H-1,2,4-triazole (CID 138620914) is 4-[(3-fluoro-5-methoxyphenyl)methyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3H-1,2,4-triazole.
What is the SMILES notation for 4-[(3-fluoro-5-methoxyphenyl)methyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3H-1,2,4-triazole?
The canonical SMILES for 4-[(3-fluoro-5-methoxyphenyl)methyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3H-1,2,4-triazole is COc1cc(F)cc(CN2C=NN(c3ccc(-c4cn[nH]c4)c(OC)c3)C2)c1.
What is the InChIKey of 4-[(3-fluoro-5-methoxyphenyl)methyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3H-1,2,4-triazole?
The InChIKey is CBTRDFLCESPDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-27-18-6-14(5-16(21)7-18)11-25-12-24-26(13-25)17-3-4-19(20(8-17)28-2)15-9-22-23-10-15/h3-10,12H,11,13H2,1-2H3,(H,22,23).
What are the key properties of 4-[(3-fluoro-5-methoxyphenyl)methyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3H-1,2,4-triazole?
4-[(3-fluoro-5-methoxyphenyl)methyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3H-1,2,4-triazole has a molecular weight of 381.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-5-methoxyphenyl)methyl]-2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3H-1,2,4-triazole is sourced from PubChem (CID 138620914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).