3-(dicyclopropylmethyl)-5-methyl-1H-pyrazole

C11H16N2 — CID 118642002

IUPAC3-(dicyclopropylmethyl)-5-methyl-1H-pyrazole
SMILESCc1cc(C(C2CC2)C2CC2)n[nH]1
InChIInChI=1S/C11H16N2/c1-7-6-10(13-12-7)11(8-2-3-8)9-4-5-9/h6,8-9,11H,2-5H2,1H3,(H,12,13)
InChIKeyNAWMGFYFFQXRFT-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.62
Rot. Bonds3

About 3-(dicyclopropylmethyl)-5-methyl-1H-pyrazole

3-(dicyclopropylmethyl)-5-methyl-1H-pyrazole (PubChem CID 118642002) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-(dicyclopropylmethyl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-(dicyclopropylmethyl)-5-methyl-1H-pyrazole
PubChem CID118642002
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-(dicyclopropylmethyl)-5-methyl-1H-pyrazole
SMILESCc1cc(C(C2CC2)C2CC2)n[nH]1
InChIInChI=1S/C11H16N2/c1-7-6-10(13-12-7)11(8-2-3-8)9-4-5-9/h6,8-9,11H,2-5H2,1H3,(H,12,13)
InChIKeyNAWMGFYFFQXRFT-UHFFFAOYSA-N
XLogP2.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-fluoroethyl)-5-methyl-1H-pyrazole
CID 161239712
2-(5-methyl-1H-pyrazol-3-yl)propan-1-ol
CID 118928978
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CID 82594248
3-methyl-2-(5-methyl-1H-pyrazol-3-yl)butanoic acid
CID 82407764
3-amino-1-(5-methyl-1H-pyrazol-3-yl)propan-1-ol
CID 82416342
2-(methylamino)-2-(5-methyl-1H-pyrazol-3-yl)ethanol
CID 83815462
3-cyclohexyl-5-methyl-1H-pyrazole;ethane
CID 144662747
3,5-dimethyl-1H-pyrazole;methane;2-methylpropane
CID 143494654
methyl (5-methyl-1H-pyrazol-3-yl) carbonate
CID 23224073
sodium;3,5-dimethyl-1H-pyrazole;hydride
CID 174789543
5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole
CID 116856668
4-[(5-methyl-1H-pyrazol-3-yl)oxy]piperidine
CID 81342506

Frequently Asked Questions

What is the IUPAC name of 3-(dicyclopropylmethyl)-5-methyl-1H-pyrazole?
The IUPAC name of 3-(dicyclopropylmethyl)-5-methyl-1H-pyrazole (CID 118642002) is 3-(dicyclopropylmethyl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-(dicyclopropylmethyl)-5-methyl-1H-pyrazole?
The canonical SMILES for 3-(dicyclopropylmethyl)-5-methyl-1H-pyrazole is Cc1cc(C(C2CC2)C2CC2)n[nH]1.
What is the InChIKey of 3-(dicyclopropylmethyl)-5-methyl-1H-pyrazole?
The InChIKey is NAWMGFYFFQXRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-7-6-10(13-12-7)11(8-2-3-8)9-4-5-9/h6,8-9,11H,2-5H2,1H3,(H,12,13).
What are the key properties of 3-(dicyclopropylmethyl)-5-methyl-1H-pyrazole?
3-(dicyclopropylmethyl)-5-methyl-1H-pyrazole has a molecular weight of 176.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dicyclopropylmethyl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 118642002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).