3-methyl-2-propan-2-yl-3,4-dihydropyrazole

C7H14N2 — CID 573933

IUPAC3-methyl-2-propan-2-yl-3,4-dihydropyrazole
SMILESCC(C)N1N=CCC1C
InChIInChI=1S/C7H14N2/c1-6(2)9-7(3)4-5-8-9/h5-7H,4H2,1-3H3
InChIKeyDUOUFHCFRWDSBE-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.47
Rot. Bonds1

About 3-methyl-2-propan-2-yl-3,4-dihydropyrazole

3-methyl-2-propan-2-yl-3,4-dihydropyrazole (PubChem CID 573933) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-methyl-2-propan-2-yl-3,4-dihydropyrazole
PubChem CID573933
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3-methyl-2-propan-2-yl-3,4-dihydropyrazole
SMILESCC(C)N1N=CCC1C
InChIInChI=1S/C7H14N2/c1-6(2)9-7(3)4-5-8-9/h5-7H,4H2,1-3H3
InChIKeyDUOUFHCFRWDSBE-UHFFFAOYSA-N
XLogP1.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-yl-3,4-dihydropyrazole?
The IUPAC name of 3-methyl-2-propan-2-yl-3,4-dihydropyrazole (CID 573933) is 3-methyl-2-propan-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 3-methyl-2-propan-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 3-methyl-2-propan-2-yl-3,4-dihydropyrazole is CC(C)N1N=CCC1C.
What is the InChIKey of 3-methyl-2-propan-2-yl-3,4-dihydropyrazole?
The InChIKey is DUOUFHCFRWDSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)9-7(3)4-5-8-9/h5-7H,4H2,1-3H3.
What are the key properties of 3-methyl-2-propan-2-yl-3,4-dihydropyrazole?
3-methyl-2-propan-2-yl-3,4-dihydropyrazole has a molecular weight of 126.20 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 573933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).