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

C7H8N4 — CID 12560597

IUPAC5-methyl-3-pyrazol-1-yl-1H-pyrazole
SMILESCc1cc(-n2cccn2)n[nH]1
InChIInChI=1S/C7H8N4/c1-6-5-7(10-9-6)11-4-2-3-8-11/h2-5H,1H3,(H,9,10)
InChIKeyDPNBDGYSFGPSKN-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.90
Rot. Bonds1

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

5-methyl-3-pyrazol-1-yl-1H-pyrazole (PubChem CID 12560597) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 5-methyl-3-pyrazol-1-yl-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-3-pyrazol-1-yl-1H-pyrazole
PubChem CID12560597
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name5-methyl-3-pyrazol-1-yl-1H-pyrazole
SMILESCc1cc(-n2cccn2)n[nH]1
InChIInChI=1S/C7H8N4/c1-6-5-7(10-9-6)11-4-2-3-8-11/h2-5H,1H3,(H,9,10)
InChIKeyDPNBDGYSFGPSKN-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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Related Compounds

5-phenyl-3-pyrazol-1-yl-1H-pyrazole
CID 173358488
N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazol-1-ylpyridine-2-carboxamide
CID 146088918
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 161004059
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 144724019
3-pyrazol-1-yl-1H-pyridazin-6-one
CID 56724904
cobalt;2,6-di(pyrazol-1-yl)pyridine
CID 175285024
1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine
CID 141216147
tetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);bis(cobalt(2+));bis(cobalt(3+));tetrakis(2,6-di(pyrazol-1-yl)pyridine)
CID 158524727
4-methyl-6-pyrazol-1-ylpyrimidin-2-amine
CID 14157472
(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 155507113
tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt
CID 157199810
3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole
CID 12560600

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-pyrazol-1-yl-1H-pyrazole?
The IUPAC name of 5-methyl-3-pyrazol-1-yl-1H-pyrazole (CID 12560597) is 5-methyl-3-pyrazol-1-yl-1H-pyrazole.
What is the SMILES notation for 5-methyl-3-pyrazol-1-yl-1H-pyrazole?
The canonical SMILES for 5-methyl-3-pyrazol-1-yl-1H-pyrazole is Cc1cc(-n2cccn2)n[nH]1.
What is the InChIKey of 5-methyl-3-pyrazol-1-yl-1H-pyrazole?
The InChIKey is DPNBDGYSFGPSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-6-5-7(10-9-6)11-4-2-3-8-11/h2-5H,1H3,(H,9,10).
What are the key properties of 5-methyl-3-pyrazol-1-yl-1H-pyrazole?
5-methyl-3-pyrazol-1-yl-1H-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 5-methyl-3-pyrazol-1-yl-1H-pyrazole is sourced from PubChem (CID 12560597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).