5-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrazole

C10H20N2 — CID 126581898

IUPAC5-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrazole
SMILESCCCN1C=C(C(C)C)C(C)N1
InChIInChI=1S/C10H20N2/c1-5-6-12-7-10(8(2)3)9(4)11-12/h7-9,11H,5-6H2,1-4H3
InChIKeyGCUIQXALFIVFQH-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.14
Rot. Bonds3

About 5-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrazole

5-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrazole (PubChem CID 126581898) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrazole.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrazole
PubChem CID126581898
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name5-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrazole
SMILESCCCN1C=C(C(C)C)C(C)N1
InChIInChI=1S/C10H20N2/c1-5-6-12-7-10(8(2)3)9(4)11-12/h7-9,11H,5-6H2,1-4H3
InChIKeyGCUIQXALFIVFQH-UHFFFAOYSA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrazole?
The IUPAC name of 5-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrazole (CID 126581898) is 5-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrazole.
What is the SMILES notation for 5-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrazole?
The canonical SMILES for 5-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrazole is CCCN1C=C(C(C)C)C(C)N1.
What is the InChIKey of 5-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrazole?
The InChIKey is GCUIQXALFIVFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-6-12-7-10(8(2)3)9(4)11-12/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 5-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrazole?
5-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrazole has a molecular weight of 168.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrazole is sourced from PubChem (CID 126581898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).