5-[(1R)-cyclohex-3-en-1-yl]-1-ethyl-4H-imidazo[4,5-d]pyrazole

C12H16N4 — CID 135958626

IUPAC5-[(1R)-cyclohex-3-en-1-yl]-1-ethyl-4H-imidazo[4,5-d]pyrazole
SMILESCCn1ncc2[nH]c([C@H]3CC=CCC3)nc21
InChIInChI=1S/C12H16N4/c1-2-16-12-10(8-13-16)14-11(15-12)9-6-4-3-5-7-9/h3-4,8-9H,2,5-7H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyNVOPKYOZEDPKMN-VIFPVBQESA-N
MW216.29 g/mol
LogP2.60
Rot. Bonds2

About 5-[(1R)-cyclohex-3-en-1-yl]-1-ethyl-4H-imidazo[4,5-d]pyrazole

5-[(1R)-cyclohex-3-en-1-yl]-1-ethyl-4H-imidazo[4,5-d]pyrazole (PubChem CID 135958626) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-[(1R)-cyclohex-3-en-1-yl]-1-ethyl-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-[(1R)-cyclohex-3-en-1-yl]-1-ethyl-4H-imidazo[4,5-d]pyrazole
PubChem CID135958626
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-[(1R)-cyclohex-3-en-1-yl]-1-ethyl-4H-imidazo[4,5-d]pyrazole
SMILESCCn1ncc2[nH]c([C@H]3CC=CCC3)nc21
InChIInChI=1S/C12H16N4/c1-2-16-12-10(8-13-16)14-11(15-12)9-6-4-3-5-7-9/h3-4,8-9H,2,5-7H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyNVOPKYOZEDPKMN-VIFPVBQESA-N
XLogP2.60
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-[(1R)-cyclohex-3-en-1-yl]-1-ethyl-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-[(1R)-cyclohex-3-en-1-yl]-1-ethyl-4H-imidazo[4,5-d]pyrazole (CID 135958626) is 5-[(1R)-cyclohex-3-en-1-yl]-1-ethyl-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-[(1R)-cyclohex-3-en-1-yl]-1-ethyl-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-[(1R)-cyclohex-3-en-1-yl]-1-ethyl-4H-imidazo[4,5-d]pyrazole is CCn1ncc2[nH]c([C@H]3CC=CCC3)nc21.
What is the InChIKey of 5-[(1R)-cyclohex-3-en-1-yl]-1-ethyl-4H-imidazo[4,5-d]pyrazole?
The InChIKey is NVOPKYOZEDPKMN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N4/c1-2-16-12-10(8-13-16)14-11(15-12)9-6-4-3-5-7-9/h3-4,8-9H,2,5-7H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of 5-[(1R)-cyclohex-3-en-1-yl]-1-ethyl-4H-imidazo[4,5-d]pyrazole?
5-[(1R)-cyclohex-3-en-1-yl]-1-ethyl-4H-imidazo[4,5-d]pyrazole has a molecular weight of 216.29 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-cyclohex-3-en-1-yl]-1-ethyl-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135958626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).