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

C7H8N4 — CID 12560594

IUPAC3-methyl-1-(1H-pyrazol-5-yl)pyrazole
SMILESCc1ccn(-c2ccn[nH]2)n1
InChIInChI=1S/C7H8N4/c1-6-3-5-11(10-6)7-2-4-8-9-7/h2-5H,1H3,(H,8,9)
InChIKeyKFRSLKDPPKKOSH-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.90
Rot. Bonds1

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

3-methyl-1-(1H-pyrazol-5-yl)pyrazole (PubChem CID 12560594) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 3-methyl-1-(1H-pyrazol-5-yl)pyrazole.

Molecular Properties

Compound Name3-methyl-1-(1H-pyrazol-5-yl)pyrazole
PubChem CID12560594
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name3-methyl-1-(1H-pyrazol-5-yl)pyrazole
SMILESCc1ccn(-c2ccn[nH]2)n1
InChIInChI=1S/C7H8N4/c1-6-3-5-11(10-6)7-2-4-8-9-7/h2-5H,1H3,(H,8,9)
InChIKeyKFRSLKDPPKKOSH-UHFFFAOYSA-N
XLogP0.90
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.90
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-yl)pyrazole?
The IUPAC name of 3-methyl-1-(1H-pyrazol-5-yl)pyrazole (CID 12560594) is 3-methyl-1-(1H-pyrazol-5-yl)pyrazole.
What is the SMILES notation for 3-methyl-1-(1H-pyrazol-5-yl)pyrazole?
The canonical SMILES for 3-methyl-1-(1H-pyrazol-5-yl)pyrazole is Cc1ccn(-c2ccn[nH]2)n1.
What is the InChIKey of 3-methyl-1-(1H-pyrazol-5-yl)pyrazole?
The InChIKey is KFRSLKDPPKKOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-6-3-5-11(10-6)7-2-4-8-9-7/h2-5H,1H3,(H,8,9).
What are the key properties of 3-methyl-1-(1H-pyrazol-5-yl)pyrazole?
3-methyl-1-(1H-pyrazol-5-yl)pyrazole has a molecular weight of 148.17 g/mol, XLogP of 0.90, 1 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-yl)pyrazole is sourced from PubChem (CID 12560594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).