3-cyclopropyl-5-methyl-1-(oxan-2-yl)pyrazole

C12H18N2O — CID 139338558

IUPAC3-cyclopropyl-5-methyl-1-(oxan-2-yl)pyrazole
SMILESCc1cc(C2CC2)nn1C1CCCCO1
InChIInChI=1S/C12H18N2O/c1-9-8-11(10-5-6-10)13-14(9)12-4-2-3-7-15-12/h8,10,12H,2-7H2,1H3
InChIKeyAXKVRJFLAIYWRT-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.77
Rot. Bonds2

About 3-cyclopropyl-5-methyl-1-(oxan-2-yl)pyrazole

3-cyclopropyl-5-methyl-1-(oxan-2-yl)pyrazole (PubChem CID 139338558) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-cyclopropyl-5-methyl-1-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name3-cyclopropyl-5-methyl-1-(oxan-2-yl)pyrazole
PubChem CID139338558
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-cyclopropyl-5-methyl-1-(oxan-2-yl)pyrazole
SMILESCc1cc(C2CC2)nn1C1CCCCO1
InChIInChI=1S/C12H18N2O/c1-9-8-11(10-5-6-10)13-14(9)12-4-2-3-7-15-12/h8,10,12H,2-7H2,1H3
InChIKeyAXKVRJFLAIYWRT-UHFFFAOYSA-N
XLogP2.77
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-methyl-1-(oxan-2-yl)pyrazole?
The IUPAC name of 3-cyclopropyl-5-methyl-1-(oxan-2-yl)pyrazole (CID 139338558) is 3-cyclopropyl-5-methyl-1-(oxan-2-yl)pyrazole.
What is the SMILES notation for 3-cyclopropyl-5-methyl-1-(oxan-2-yl)pyrazole?
The canonical SMILES for 3-cyclopropyl-5-methyl-1-(oxan-2-yl)pyrazole is Cc1cc(C2CC2)nn1C1CCCCO1.
What is the InChIKey of 3-cyclopropyl-5-methyl-1-(oxan-2-yl)pyrazole?
The InChIKey is AXKVRJFLAIYWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-8-11(10-5-6-10)13-14(9)12-4-2-3-7-15-12/h8,10,12H,2-7H2,1H3.
What are the key properties of 3-cyclopropyl-5-methyl-1-(oxan-2-yl)pyrazole?
3-cyclopropyl-5-methyl-1-(oxan-2-yl)pyrazole has a molecular weight of 206.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methyl-1-(oxan-2-yl)pyrazole is sourced from PubChem (CID 139338558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).