1-[(3-methylphenyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]triazole

C15H17N5 — CID 166251290

IUPAC1-[(3-methylphenyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]triazole
SMILESCc1cccc(Cn2cc(Cn3cc(C)cn3)nn2)c1
InChIInChI=1S/C15H17N5/c1-12-4-3-5-14(6-12)9-20-11-15(17-18-20)10-19-8-13(2)7-16-19/h3-8,11H,9-10H2,1-2H3
InChIKeyGWKYSULIIRZOJA-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.19
Rot. Bonds4

About 1-[(3-methylphenyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]triazole

1-[(3-methylphenyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]triazole (PubChem CID 166251290) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]triazole.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]triazole
PubChem CID166251290
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name1-[(3-methylphenyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]triazole
SMILESCc1cccc(Cn2cc(Cn3cc(C)cn3)nn2)c1
InChIInChI=1S/C15H17N5/c1-12-4-3-5-14(6-12)9-20-11-15(17-18-20)10-19-8-13(2)7-16-19/h3-8,11H,9-10H2,1-2H3
InChIKeyGWKYSULIIRZOJA-UHFFFAOYSA-N
XLogP2.19
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(3-methylphenyl)methyl]triazol-4-yl]methanol
CID 24786458
[3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine
CID 60873665
1-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 155804078
1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 7017120
[1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 62730723
1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanone
CID 62727631
1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62729897
1-[(3-methylphenyl)methyl]-4-nitropyrazole
CID 4581447
(2S)-3-[(3-methylphenyl)methyl]-2-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966663
3-[3-[(4-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 54970007
N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62730349
1-benzyl-4-(pyrazol-1-ylmethyl)triazole
CID 102307082

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]triazole?
The IUPAC name of 1-[(3-methylphenyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]triazole (CID 166251290) is 1-[(3-methylphenyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]triazole.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]triazole?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]triazole is Cc1cccc(Cn2cc(Cn3cc(C)cn3)nn2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]triazole?
The InChIKey is GWKYSULIIRZOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-12-4-3-5-14(6-12)9-20-11-15(17-18-20)10-19-8-13(2)7-16-19/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]triazole?
1-[(3-methylphenyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]triazole has a molecular weight of 267.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]triazole is sourced from PubChem (CID 166251290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).