3-methyl-1-(1H-pyrazol-5-ylmethyl)pyrazole

C8H10N4 — CID 155228866

IUPAC3-methyl-1-(1H-pyrazol-5-ylmethyl)pyrazole
SMILESCc1ccn(Cc2ccn[nH]2)n1
InChIInChI=1S/C8H10N4/c1-7-3-5-12(11-7)6-8-2-4-9-10-8/h2-5H,6H2,1H3,(H,9,10)
InChIKeySGAZXZQDNNNYLE-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.96
Rot. Bonds2

About 3-methyl-1-(1H-pyrazol-5-ylmethyl)pyrazole

3-methyl-1-(1H-pyrazol-5-ylmethyl)pyrazole (PubChem CID 155228866) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 3-methyl-1-(1H-pyrazol-5-ylmethyl)pyrazole.

Molecular Properties

Compound Name3-methyl-1-(1H-pyrazol-5-ylmethyl)pyrazole
PubChem CID155228866
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name3-methyl-1-(1H-pyrazol-5-ylmethyl)pyrazole
SMILESCc1ccn(Cc2ccn[nH]2)n1
InChIInChI=1S/C8H10N4/c1-7-3-5-12(11-7)6-8-2-4-9-10-8/h2-5H,6H2,1H3,(H,9,10)
InChIKeySGAZXZQDNNNYLE-UHFFFAOYSA-N
XLogP0.96
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The IUPAC name of 3-methyl-1-(1H-pyrazol-5-ylmethyl)pyrazole (CID 155228866) is 3-methyl-1-(1H-pyrazol-5-ylmethyl)pyrazole.
What is the SMILES notation for 3-methyl-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The canonical SMILES for 3-methyl-1-(1H-pyrazol-5-ylmethyl)pyrazole is Cc1ccn(Cc2ccn[nH]2)n1.
What is the InChIKey of 3-methyl-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The InChIKey is SGAZXZQDNNNYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-7-3-5-12(11-7)6-8-2-4-9-10-8/h2-5H,6H2,1H3,(H,9,10).
What are the key properties of 3-methyl-1-(1H-pyrazol-5-ylmethyl)pyrazole?
3-methyl-1-(1H-pyrazol-5-ylmethyl)pyrazole has a molecular weight of 162.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1H-pyrazol-5-ylmethyl)pyrazole is sourced from PubChem (CID 155228866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).