4-(pyrazol-1-ylmethyl)-2H-triazole

C6H7N5 — CID 154029465

IUPAC4-(pyrazol-1-ylmethyl)-2H-triazole
SMILESc1cnn(Cc2cn[nH]n2)c1
InChIInChI=1S/C6H7N5/c1-2-8-11(3-1)5-6-4-7-10-9-6/h1-4H,5H2,(H,7,9,10)
InChIKeyIZBFKUIUGMUOFO-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.05
Rot. Bonds2

About 4-(pyrazol-1-ylmethyl)-2H-triazole

4-(pyrazol-1-ylmethyl)-2H-triazole (PubChem CID 154029465) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is 4-(pyrazol-1-ylmethyl)-2H-triazole.

Molecular Properties

Compound Name4-(pyrazol-1-ylmethyl)-2H-triazole
PubChem CID154029465
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name4-(pyrazol-1-ylmethyl)-2H-triazole
SMILESc1cnn(Cc2cn[nH]n2)c1
InChIInChI=1S/C6H7N5/c1-2-8-11(3-1)5-6-4-7-10-9-6/h1-4H,5H2,(H,7,9,10)
InChIKeyIZBFKUIUGMUOFO-UHFFFAOYSA-N
XLogP0.05
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis(pyrazol-1-ylmethyl)pyridine
CID 12975814
1-[[2,3,4,5,6-pentakis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 15190545
2-methyl-4-(pyrazol-1-ylmethyl)triazole
CID 130588297
1-[[1,3,4,5,6,7,8-heptakis(pyrazol-1-ylmethyl)biphenylen-2-yl]methyl]pyrazole
CID 139060151
1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734
1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 91461332
5-propan-2-yl-2-(pyrazol-1-ylmethyl)pyridine
CID 121288962
4-methyl-2-(pyrazol-1-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine
CID 59685582
2-chloro-5-(pyrazol-1-ylmethyl)-1,3-thiazole
CID 2764394
1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole
CID 101492467
1-benzyl-4-(pyrazol-1-ylmethyl)triazole
CID 102307082
1-[(2,6-dimethylphenyl)methyl]pyrazole
CID 79032553

Frequently Asked Questions

What is the IUPAC name of 4-(pyrazol-1-ylmethyl)-2H-triazole?
The IUPAC name of 4-(pyrazol-1-ylmethyl)-2H-triazole (CID 154029465) is 4-(pyrazol-1-ylmethyl)-2H-triazole.
What is the SMILES notation for 4-(pyrazol-1-ylmethyl)-2H-triazole?
The canonical SMILES for 4-(pyrazol-1-ylmethyl)-2H-triazole is c1cnn(Cc2cn[nH]n2)c1.
What is the InChIKey of 4-(pyrazol-1-ylmethyl)-2H-triazole?
The InChIKey is IZBFKUIUGMUOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5/c1-2-8-11(3-1)5-6-4-7-10-9-6/h1-4H,5H2,(H,7,9,10).
What are the key properties of 4-(pyrazol-1-ylmethyl)-2H-triazole?
4-(pyrazol-1-ylmethyl)-2H-triazole has a molecular weight of 149.16 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrazol-1-ylmethyl)-2H-triazole is sourced from PubChem (CID 154029465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).