3-methylidene-5-propan-2-yl-1,2-dihydropyrazole

C7H12N2 — CID 20706389

IUPAC3-methylidene-5-propan-2-yl-1,2-dihydropyrazole
SMILESC=C1C=C(C(C)C)NN1
InChIInChI=1S/C7H12N2/c1-5(2)7-4-6(3)8-9-7/h4-5,8-9H,3H2,1-2H3
InChIKeyMUYZFUSKLGJTJE-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.15
Rot. Bonds1

About 3-methylidene-5-propan-2-yl-1,2-dihydropyrazole

3-methylidene-5-propan-2-yl-1,2-dihydropyrazole (PubChem CID 20706389) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-methylidene-5-propan-2-yl-1,2-dihydropyrazole.

Molecular Properties

Compound Name3-methylidene-5-propan-2-yl-1,2-dihydropyrazole
PubChem CID20706389
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3-methylidene-5-propan-2-yl-1,2-dihydropyrazole
SMILESC=C1C=C(C(C)C)NN1
InChIInChI=1S/C7H12N2/c1-5(2)7-4-6(3)8-9-7/h4-5,8-9H,3H2,1-2H3
InChIKeyMUYZFUSKLGJTJE-UHFFFAOYSA-N
XLogP1.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-5-propan-2-yl-1,2-dihydropyrazole?
The IUPAC name of 3-methylidene-5-propan-2-yl-1,2-dihydropyrazole (CID 20706389) is 3-methylidene-5-propan-2-yl-1,2-dihydropyrazole.
What is the SMILES notation for 3-methylidene-5-propan-2-yl-1,2-dihydropyrazole?
The canonical SMILES for 3-methylidene-5-propan-2-yl-1,2-dihydropyrazole is C=C1C=C(C(C)C)NN1.
What is the InChIKey of 3-methylidene-5-propan-2-yl-1,2-dihydropyrazole?
The InChIKey is MUYZFUSKLGJTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-5(2)7-4-6(3)8-9-7/h4-5,8-9H,3H2,1-2H3.
What are the key properties of 3-methylidene-5-propan-2-yl-1,2-dihydropyrazole?
3-methylidene-5-propan-2-yl-1,2-dihydropyrazole has a molecular weight of 124.19 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-propan-2-yl-1,2-dihydropyrazole is sourced from PubChem (CID 20706389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).