2-methyl-5-propan-2-yl-1,5-dihydropyrazole

C7H14N2 — CID 123469879

IUPAC2-methyl-5-propan-2-yl-1,5-dihydropyrazole
SMILESCC(C)C1C=CN(C)N1
InChIInChI=1S/C7H14N2/c1-6(2)7-4-5-9(3)8-7/h4-8H,1-3H3
InChIKeyOFHBWVFOHJOAIS-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.97
Rot. Bonds1

About 2-methyl-5-propan-2-yl-1,5-dihydropyrazole

2-methyl-5-propan-2-yl-1,5-dihydropyrazole (PubChem CID 123469879) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1,5-dihydropyrazole.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-1,5-dihydropyrazole
PubChem CID123469879
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-methyl-5-propan-2-yl-1,5-dihydropyrazole
SMILESCC(C)C1C=CN(C)N1
InChIInChI=1S/C7H14N2/c1-6(2)7-4-5-9(3)8-7/h4-8H,1-3H3
InChIKeyOFHBWVFOHJOAIS-UHFFFAOYSA-N
XLogP0.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-1,5-dihydropyrazole?
The IUPAC name of 2-methyl-5-propan-2-yl-1,5-dihydropyrazole (CID 123469879) is 2-methyl-5-propan-2-yl-1,5-dihydropyrazole.
What is the SMILES notation for 2-methyl-5-propan-2-yl-1,5-dihydropyrazole?
The canonical SMILES for 2-methyl-5-propan-2-yl-1,5-dihydropyrazole is CC(C)C1C=CN(C)N1.
What is the InChIKey of 2-methyl-5-propan-2-yl-1,5-dihydropyrazole?
The InChIKey is OFHBWVFOHJOAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)7-4-5-9(3)8-7/h4-8H,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-1,5-dihydropyrazole?
2-methyl-5-propan-2-yl-1,5-dihydropyrazole has a molecular weight of 126.20 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-1,5-dihydropyrazole is sourced from PubChem (CID 123469879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).