1-cyclopropyl-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethyl]pyrazole

C14H20N4 — CID 118142957

IUPAC1-cyclopropyl-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethyl]pyrazole
SMILESCc1nn(C2CC2)c(C)c1CCc1nccn1C
InChIInChI=1S/C14H20N4/c1-10-13(6-7-14-15-8-9-17(14)3)11(2)18(16-10)12-4-5-12/h8-9,12H,4-7H2,1-3H3
InChIKeySUOPPQOSJUKXOD-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.35
Rot. Bonds4

About 1-cyclopropyl-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethyl]pyrazole

1-cyclopropyl-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethyl]pyrazole (PubChem CID 118142957) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-cyclopropyl-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethyl]pyrazole.

Molecular Properties

Compound Name1-cyclopropyl-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethyl]pyrazole
PubChem CID118142957
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-cyclopropyl-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethyl]pyrazole
SMILESCc1nn(C2CC2)c(C)c1CCc1nccn1C
InChIInChI=1S/C14H20N4/c1-10-13(6-7-14-15-8-9-17(14)3)11(2)18(16-10)12-4-5-12/h8-9,12H,4-7H2,1-3H3
InChIKeySUOPPQOSJUKXOD-UHFFFAOYSA-N
XLogP2.35
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethyl]pyrazole?
The IUPAC name of 1-cyclopropyl-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethyl]pyrazole (CID 118142957) is 1-cyclopropyl-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethyl]pyrazole.
What is the SMILES notation for 1-cyclopropyl-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethyl]pyrazole?
The canonical SMILES for 1-cyclopropyl-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethyl]pyrazole is Cc1nn(C2CC2)c(C)c1CCc1nccn1C.
What is the InChIKey of 1-cyclopropyl-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethyl]pyrazole?
The InChIKey is SUOPPQOSJUKXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-13(6-7-14-15-8-9-17(14)3)11(2)18(16-10)12-4-5-12/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 1-cyclopropyl-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethyl]pyrazole?
1-cyclopropyl-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethyl]pyrazole has a molecular weight of 244.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethyl]pyrazole is sourced from PubChem (CID 118142957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).