4-(4-methoxyphenyl)-3-[(1R)-1-pyrazol-1-ylethyl]-1,2,4-triazole

C14H15N5O — CID 95218108

IUPAC4-(4-methoxyphenyl)-3-[(1R)-1-pyrazol-1-ylethyl]-1,2,4-triazole
SMILESCOc1ccc(-n2cnnc2[C@@H](C)n2cccn2)cc1
InChIInChI=1S/C14H15N5O/c1-11(19-9-3-8-16-19)14-17-15-10-18(14)12-4-6-13(20-2)7-5-12/h3-11H,1-2H3/t11-/m1/s1
InChIKeyWZJVWGQNOUINIY-LLVKDONJSA-N
MW269.31 g/mol
LogP2.08
Rot. Bonds4

About 4-(4-methoxyphenyl)-3-[(1R)-1-pyrazol-1-ylethyl]-1,2,4-triazole

4-(4-methoxyphenyl)-3-[(1R)-1-pyrazol-1-ylethyl]-1,2,4-triazole (PubChem CID 95218108) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-[(1R)-1-pyrazol-1-ylethyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-[(1R)-1-pyrazol-1-ylethyl]-1,2,4-triazole
PubChem CID95218108
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-(4-methoxyphenyl)-3-[(1R)-1-pyrazol-1-ylethyl]-1,2,4-triazole
SMILESCOc1ccc(-n2cnnc2[C@@H](C)n2cccn2)cc1
InChIInChI=1S/C14H15N5O/c1-11(19-9-3-8-16-19)14-17-15-10-18(14)12-4-6-13(20-2)7-5-12/h3-11H,1-2H3/t11-/m1/s1
InChIKeyWZJVWGQNOUINIY-LLVKDONJSA-N
XLogP2.08
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxyphenyl)-3-[(1S)-1-pyrrolidin-1-ylethyl]-1,2,4-triazole
CID 95197300
4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole
CID 13019909
4-(4-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole
CID 56706565
2-[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 56706277
3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole
CID 115393487
3-pentan-3-yl-4-phenyl-1,2,4-triazole
CID 115393369
4-(4-methoxyphenyl)-3-tridecyl-1,2,4-triazole
CID 54071497
1-(4-methoxyphenyl)-1-pyrazol-1-ylbutan-2-amine
CID 55015477
CID 172687865
CID 172687865
2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
CID 51184209
3-heptan-4-yl-4-phenyl-1,2,4-triazole
CID 82995820
4-methoxy-2-(4-phenyl-1,2,4-triazol-3-yl)aniline
CID 115412400

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-[(1R)-1-pyrazol-1-ylethyl]-1,2,4-triazole?
The IUPAC name of 4-(4-methoxyphenyl)-3-[(1R)-1-pyrazol-1-ylethyl]-1,2,4-triazole (CID 95218108) is 4-(4-methoxyphenyl)-3-[(1R)-1-pyrazol-1-ylethyl]-1,2,4-triazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-[(1R)-1-pyrazol-1-ylethyl]-1,2,4-triazole?
The canonical SMILES for 4-(4-methoxyphenyl)-3-[(1R)-1-pyrazol-1-ylethyl]-1,2,4-triazole is COc1ccc(-n2cnnc2[C@@H](C)n2cccn2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-[(1R)-1-pyrazol-1-ylethyl]-1,2,4-triazole?
The InChIKey is WZJVWGQNOUINIY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15N5O/c1-11(19-9-3-8-16-19)14-17-15-10-18(14)12-4-6-13(20-2)7-5-12/h3-11H,1-2H3/t11-/m1/s1.
What are the key properties of 4-(4-methoxyphenyl)-3-[(1R)-1-pyrazol-1-ylethyl]-1,2,4-triazole?
4-(4-methoxyphenyl)-3-[(1R)-1-pyrazol-1-ylethyl]-1,2,4-triazole has a molecular weight of 269.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-[(1R)-1-pyrazol-1-ylethyl]-1,2,4-triazole is sourced from PubChem (CID 95218108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).