3-heptan-3-yl-2,4-dimethyl-1,3-dihydropyrazole

C12H24N2 — CID 166834566

IUPAC3-heptan-3-yl-2,4-dimethyl-1,3-dihydropyrazole
SMILESCCCCC(CC)C1C(C)=CNN1C
InChIInChI=1S/C12H24N2/c1-5-7-8-11(6-2)12-10(3)9-13-14(12)4/h9,11-13H,5-8H2,1-4H3
InChIKeyKVZWIHGZNSMDSJ-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.93
Rot. Bonds5

About 3-heptan-3-yl-2,4-dimethyl-1,3-dihydropyrazole

3-heptan-3-yl-2,4-dimethyl-1,3-dihydropyrazole (PubChem CID 166834566) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-heptan-3-yl-2,4-dimethyl-1,3-dihydropyrazole.

Molecular Properties

Compound Name3-heptan-3-yl-2,4-dimethyl-1,3-dihydropyrazole
PubChem CID166834566
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-heptan-3-yl-2,4-dimethyl-1,3-dihydropyrazole
SMILESCCCCC(CC)C1C(C)=CNN1C
InChIInChI=1S/C12H24N2/c1-5-7-8-11(6-2)12-10(3)9-13-14(12)4/h9,11-13H,5-8H2,1-4H3
InChIKeyKVZWIHGZNSMDSJ-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-heptan-3-yl-2,4-dimethyl-1,3-dihydropyrazole?
The IUPAC name of 3-heptan-3-yl-2,4-dimethyl-1,3-dihydropyrazole (CID 166834566) is 3-heptan-3-yl-2,4-dimethyl-1,3-dihydropyrazole.
What is the SMILES notation for 3-heptan-3-yl-2,4-dimethyl-1,3-dihydropyrazole?
The canonical SMILES for 3-heptan-3-yl-2,4-dimethyl-1,3-dihydropyrazole is CCCCC(CC)C1C(C)=CNN1C.
What is the InChIKey of 3-heptan-3-yl-2,4-dimethyl-1,3-dihydropyrazole?
The InChIKey is KVZWIHGZNSMDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-7-8-11(6-2)12-10(3)9-13-14(12)4/h9,11-13H,5-8H2,1-4H3.
What are the key properties of 3-heptan-3-yl-2,4-dimethyl-1,3-dihydropyrazole?
3-heptan-3-yl-2,4-dimethyl-1,3-dihydropyrazole has a molecular weight of 196.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-3-yl-2,4-dimethyl-1,3-dihydropyrazole is sourced from PubChem (CID 166834566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).