3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol

C15H17N5O — CID 103027965

IUPAC3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol
SMILESCn1nccc1CCC(O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H17N5O/c1-19-12(9-10-16-19)7-8-15(21)14-11-17-20(18-14)13-5-3-2-4-6-13/h2-6,9-11,15,21H,7-8H2,1H3
InChIKeyBBOQPEOAXDFRRE-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.67
Rot. Bonds5

About 3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol

3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol (PubChem CID 103027965) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol
PubChem CID103027965
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol
SMILESCn1nccc1CCC(O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H17N5O/c1-19-12(9-10-16-19)7-8-15(21)14-11-17-20(18-14)13-5-3-2-4-6-13/h2-6,9-11,15,21H,7-8H2,1H3
InChIKeyBBOQPEOAXDFRRE-UHFFFAOYSA-N
XLogP1.67
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
CID 105091547
3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol
CID 114983866
2-(2-methylpyrazol-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine
CID 104694524
3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol
CID 103008060
N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)methanamine
CID 105148730
3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol
CID 103006025
3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol
CID 103005969
1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-ol
CID 103006232
3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol
CID 103008459
4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine
CID 103010021
2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
CID 114013665
1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103005996

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol (CID 103027965) is 3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol is Cn1nccc1CCC(O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol?
The InChIKey is BBOQPEOAXDFRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-19-12(9-10-16-19)7-8-15(21)14-11-17-20(18-14)13-5-3-2-4-6-13/h2-6,9-11,15,21H,7-8H2,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol?
3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol has a molecular weight of 283.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol is sourced from PubChem (CID 103027965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).