3-cyclopropyl-5-ethyl-4-methyl-1H-pyrazole

C9H14N2 — CID 171384521

IUPAC3-cyclopropyl-5-ethyl-4-methyl-1H-pyrazole
SMILESCCc1[nH]nc(C2CC2)c1C
InChIInChI=1S/C9H14N2/c1-3-8-6(2)9(11-10-8)7-4-5-7/h7H,3-5H2,1-2H3,(H,10,11)
InChIKeyOKMNJBKBYMHMQK-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.16
Rot. Bonds2

About 3-cyclopropyl-5-ethyl-4-methyl-1H-pyrazole

3-cyclopropyl-5-ethyl-4-methyl-1H-pyrazole (PubChem CID 171384521) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-cyclopropyl-5-ethyl-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-cyclopropyl-5-ethyl-4-methyl-1H-pyrazole
PubChem CID171384521
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-cyclopropyl-5-ethyl-4-methyl-1H-pyrazole
SMILESCCc1[nH]nc(C2CC2)c1C
InChIInChI=1S/C9H14N2/c1-3-8-6(2)9(11-10-8)7-4-5-7/h7H,3-5H2,1-2H3,(H,10,11)
InChIKeyOKMNJBKBYMHMQK-UHFFFAOYSA-N
XLogP2.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-ethyl-4-methyl-1H-pyrazole?
The IUPAC name of 3-cyclopropyl-5-ethyl-4-methyl-1H-pyrazole (CID 171384521) is 3-cyclopropyl-5-ethyl-4-methyl-1H-pyrazole.
What is the SMILES notation for 3-cyclopropyl-5-ethyl-4-methyl-1H-pyrazole?
The canonical SMILES for 3-cyclopropyl-5-ethyl-4-methyl-1H-pyrazole is CCc1[nH]nc(C2CC2)c1C.
What is the InChIKey of 3-cyclopropyl-5-ethyl-4-methyl-1H-pyrazole?
The InChIKey is OKMNJBKBYMHMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-8-6(2)9(11-10-8)7-4-5-7/h7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 3-cyclopropyl-5-ethyl-4-methyl-1H-pyrazole?
3-cyclopropyl-5-ethyl-4-methyl-1H-pyrazole has a molecular weight of 150.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-ethyl-4-methyl-1H-pyrazole is sourced from PubChem (CID 171384521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).