1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-triazole

C19H25N5O — CID 95122009

IUPAC1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-triazole
SMILESCOc1ccccc1-n1nc(CC(C)C)nc1C[C@@H](C)n1cccn1
InChIInChI=1S/C19H25N5O/c1-14(2)12-18-21-19(13-15(3)23-11-7-10-20-23)24(22-18)16-8-5-6-9-17(16)25-4/h5-11,14-15H,12-13H2,1-4H3/t15-/m1/s1
InChIKeyULVASNYNWSXNJX-OAHLLOKOSA-N
MW339.44 g/mol
LogP3.47
Rot. Bonds7

About 1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-triazole

1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-triazole (PubChem CID 95122009) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-triazole
PubChem CID95122009
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-triazole
SMILESCOc1ccccc1-n1nc(CC(C)C)nc1C[C@@H](C)n1cccn1
InChIInChI=1S/C19H25N5O/c1-14(2)12-18-21-19(13-15(3)23-11-7-10-20-23)24(22-18)16-8-5-6-9-17(16)25-4/h5-11,14-15H,12-13H2,1-4H3/t15-/m1/s1
InChIKeyULVASNYNWSXNJX-OAHLLOKOSA-N
XLogP3.47
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one
CID 50983362
1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole
CID 50961121
3-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 50955479
1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(oxolan-3-yl)-1,2,4-triazole
CID 50979759
6-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyrimidine-2,4-dione
CID 50950566
[2-(2-methoxyphenyl)pyrazol-3-yl]methanamine
CID 83881539
[1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66440981
4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole
CID 66438831
5-[2-[(R)-ethylsulfinyl]ethyl]-1-(2-methoxyphenyl)-3-propan-2-yl-1,2,4-triazole
CID 95125175
4-[[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]methylsulfanyl]pyridine
CID 50959715
2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine
CID 50970621
2-(2-methoxyphenyl)-3-methyl-5-(2-pyrazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110243886

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-triazole?
The IUPAC name of 1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-triazole (CID 95122009) is 1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-triazole.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-triazole?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-triazole is COc1ccccc1-n1nc(CC(C)C)nc1C[C@@H](C)n1cccn1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-triazole?
The InChIKey is ULVASNYNWSXNJX-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14(2)12-18-21-19(13-15(3)23-11-7-10-20-23)24(22-18)16-8-5-6-9-17(16)25-4/h5-11,14-15H,12-13H2,1-4H3/t15-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-triazole?
1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-triazole has a molecular weight of 339.44 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-triazole is sourced from PubChem (CID 95122009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).