4-cyclopropyl-3,4,5-trimethylpyrazole

C9H14N2 — CID 118209418

IUPAC4-cyclopropyl-3,4,5-trimethylpyrazole
SMILESCC1=NN=C(C)C1(C)C1CC1
InChIInChI=1S/C9H14N2/c1-6-9(3,8-4-5-8)7(2)11-10-6/h8H,4-5H2,1-3H3
InChIKeyPCNDUKIRFAUXPV-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.25
Rot. Bonds1

About 4-cyclopropyl-3,4,5-trimethylpyrazole

4-cyclopropyl-3,4,5-trimethylpyrazole (PubChem CID 118209418) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-cyclopropyl-3,4,5-trimethylpyrazole.

Molecular Properties

Compound Name4-cyclopropyl-3,4,5-trimethylpyrazole
PubChem CID118209418
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4-cyclopropyl-3,4,5-trimethylpyrazole
SMILESCC1=NN=C(C)C1(C)C1CC1
InChIInChI=1S/C9H14N2/c1-6-9(3,8-4-5-8)7(2)11-10-6/h8H,4-5H2,1-3H3
InChIKeyPCNDUKIRFAUXPV-UHFFFAOYSA-N
XLogP2.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3,4,5-trimethylpyrazole?
The IUPAC name of 4-cyclopropyl-3,4,5-trimethylpyrazole (CID 118209418) is 4-cyclopropyl-3,4,5-trimethylpyrazole.
What is the SMILES notation for 4-cyclopropyl-3,4,5-trimethylpyrazole?
The canonical SMILES for 4-cyclopropyl-3,4,5-trimethylpyrazole is CC1=NN=C(C)C1(C)C1CC1.
What is the InChIKey of 4-cyclopropyl-3,4,5-trimethylpyrazole?
The InChIKey is PCNDUKIRFAUXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-6-9(3,8-4-5-8)7(2)11-10-6/h8H,4-5H2,1-3H3.
What are the key properties of 4-cyclopropyl-3,4,5-trimethylpyrazole?
4-cyclopropyl-3,4,5-trimethylpyrazole has a molecular weight of 150.22 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3,4,5-trimethylpyrazole is sourced from PubChem (CID 118209418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).