3-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrazole

C9H16N2 — CID 58926371

IUPAC3-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrazole
SMILESCC(C)=C1CC(C(C)C)N=N1
InChIInChI=1S/C9H16N2/c1-6(2)8-5-9(7(3)4)11-10-8/h6,8H,5H2,1-4H3
InChIKeyKTZNGDXAVOEZRV-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.16
Rot. Bonds1

About 3-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrazole

3-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrazole (PubChem CID 58926371) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrazole
PubChem CID58926371
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrazole
SMILESCC(C)=C1CC(C(C)C)N=N1
InChIInChI=1S/C9H16N2/c1-6(2)8-5-9(7(3)4)11-10-8/h6,8H,5H2,1-4H3
InChIKeyKTZNGDXAVOEZRV-UHFFFAOYSA-N
XLogP3.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethyl-2-propan-2-yl-3,4-dihydro-2H-pyrrole
CID 90978080
4-propan-2-yl-5,6-dihydro-4H-1,3-thiazine
CID 58473771
(4R)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole
CID 143926182
2-propan-2-yl-2H-1,3,4-thiadiazol-5-one
CID 170922796
[(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate
CID 164775782
2-propan-2-yl-2,3-dihydropyridine
CID 91526421
2-amino-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 50998320
N-[(1S)-2-methyl-1-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide
CID 131801559
(4S)-2-bromo-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 101459148
6-bromo-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline
CID 153483175
1,1-dimethyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]hydrazine
CID 83017609
N-methyl-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 107857799

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrazole?
The IUPAC name of 3-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrazole (CID 58926371) is 3-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrazole.
What is the SMILES notation for 3-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrazole?
The canonical SMILES for 3-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrazole is CC(C)=C1CC(C(C)C)N=N1.
What is the InChIKey of 3-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrazole?
The InChIKey is KTZNGDXAVOEZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-6(2)8-5-9(7(3)4)11-10-8/h6,8H,5H2,1-4H3.
What are the key properties of 3-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrazole?
3-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrazole has a molecular weight of 152.24 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrazole is sourced from PubChem (CID 58926371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).