4-(4-propan-2-ylcyclohex-3-en-1-yl)-2,3-dihydro-1H-pyrazole

C12H20N2 — CID 70218476

IUPAC4-(4-propan-2-ylcyclohex-3-en-1-yl)-2,3-dihydro-1H-pyrazole
SMILESCC(C)C1=CCC(C2=CNNC2)CC1
InChIInChI=1S/C12H20N2/c1-9(2)10-3-5-11(6-4-10)12-7-13-14-8-12/h3,7,9,11,13-14H,4-6,8H2,1-2H3
InChIKeyPHJVINCSARQMPJ-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.36
Rot. Bonds2

About 4-(4-propan-2-ylcyclohex-3-en-1-yl)-2,3-dihydro-1H-pyrazole

4-(4-propan-2-ylcyclohex-3-en-1-yl)-2,3-dihydro-1H-pyrazole (PubChem CID 70218476) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-(4-propan-2-ylcyclohex-3-en-1-yl)-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name4-(4-propan-2-ylcyclohex-3-en-1-yl)-2,3-dihydro-1H-pyrazole
PubChem CID70218476
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-(4-propan-2-ylcyclohex-3-en-1-yl)-2,3-dihydro-1H-pyrazole
SMILESCC(C)C1=CCC(C2=CNNC2)CC1
InChIInChI=1S/C12H20N2/c1-9(2)10-3-5-11(6-4-10)12-7-13-14-8-12/h3,7,9,11,13-14H,4-6,8H2,1-2H3
InChIKeyPHJVINCSARQMPJ-UHFFFAOYSA-N
XLogP2.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylcyclohex-3-en-1-yl)-2,3-dihydro-1H-pyrazole?
The IUPAC name of 4-(4-propan-2-ylcyclohex-3-en-1-yl)-2,3-dihydro-1H-pyrazole (CID 70218476) is 4-(4-propan-2-ylcyclohex-3-en-1-yl)-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 4-(4-propan-2-ylcyclohex-3-en-1-yl)-2,3-dihydro-1H-pyrazole?
The canonical SMILES for 4-(4-propan-2-ylcyclohex-3-en-1-yl)-2,3-dihydro-1H-pyrazole is CC(C)C1=CCC(C2=CNNC2)CC1.
What is the InChIKey of 4-(4-propan-2-ylcyclohex-3-en-1-yl)-2,3-dihydro-1H-pyrazole?
The InChIKey is PHJVINCSARQMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9(2)10-3-5-11(6-4-10)12-7-13-14-8-12/h3,7,9,11,13-14H,4-6,8H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylcyclohex-3-en-1-yl)-2,3-dihydro-1H-pyrazole?
4-(4-propan-2-ylcyclohex-3-en-1-yl)-2,3-dihydro-1H-pyrazole has a molecular weight of 192.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylcyclohex-3-en-1-yl)-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 70218476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).