5-propan-2-yl-4,5-dihydro-1H-pyrazole

C6H12N2 — CID 58473803

IUPAC5-propan-2-yl-4,5-dihydro-1H-pyrazole
SMILESCC(C)C1CC=NN1
InChIInChI=1S/C6H12N2/c1-5(2)6-3-4-7-8-6/h4-6,8H,3H2,1-2H3
InChIKeyOJXKRLBPDXOUOV-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.99
Rot. Bonds1

About 5-propan-2-yl-4,5-dihydro-1H-pyrazole

5-propan-2-yl-4,5-dihydro-1H-pyrazole (PubChem CID 58473803) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 5-propan-2-yl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-propan-2-yl-4,5-dihydro-1H-pyrazole
PubChem CID58473803
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name5-propan-2-yl-4,5-dihydro-1H-pyrazole
SMILESCC(C)C1CC=NN1
InChIInChI=1S/C6H12N2/c1-5(2)6-3-4-7-8-6/h4-6,8H,3H2,1-2H3
InChIKeyOJXKRLBPDXOUOV-UHFFFAOYSA-N
XLogP0.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-4,5-dihydro-1H-pyrazole
CID 549780
1H-Pyrazole, 4,5-dihydro-5,5-dimethyl-
CID 557772
5-ethyl-4,5-dihydro-1H-pyrazole
CID 17799937
Pyrazole, 4,5-dihydro-4-methyl-
CID 12334529
4,5-Dihydro-5-propyl-1H-pyrazole
CID 549782
1H-Pyrazole, 4,5-dihydro-4,5-dimethyl-
CID 558148
3,4,5-Trimethyl-2-pyrazoline
CID 566122
4-Propyl-4,5-dihydro-1h-pyrazole
CID 91348709
5-(1-fluoroethyl)-4,5-dihydro-1H-pyrazole
CID 89099118
2-fluoro-1-imino-2-methyl-N-(methylideneamino)pentan-3-amine
CID 156512557
3-fluoro-5-propan-2-yl-4,5-dihydro-1H-pyrazol-4-amine
CID 178039731
3-Ethyl-4-methyl-4,5-dihydro-1H-pyrazole
CID 13063591

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-propan-2-yl-4,5-dihydro-1H-pyrazole (CID 58473803) is 5-propan-2-yl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-propan-2-yl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-propan-2-yl-4,5-dihydro-1H-pyrazole is CC(C)C1CC=NN1.
What is the InChIKey of 5-propan-2-yl-4,5-dihydro-1H-pyrazole?
The InChIKey is OJXKRLBPDXOUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5(2)6-3-4-7-8-6/h4-6,8H,3H2,1-2H3.
What are the key properties of 5-propan-2-yl-4,5-dihydro-1H-pyrazole?
5-propan-2-yl-4,5-dihydro-1H-pyrazole has a molecular weight of 112.18 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 58473803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).