1-(cyclopropylmethyl)-3-methyl-5-(oxolan-3-yl)pyrazole

C12H18N2O — CID 123681065

IUPAC1-(cyclopropylmethyl)-3-methyl-5-(oxolan-3-yl)pyrazole
SMILESCc1cc(C2CCOC2)n(CC2CC2)n1
InChIInChI=1S/C12H18N2O/c1-9-6-12(11-4-5-15-8-11)14(13-9)7-10-2-3-10/h6,10-11H,2-5,7-8H2,1H3
InChIKeyWHWHTFHIKMSNBJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.11
Rot. Bonds3

About 1-(cyclopropylmethyl)-3-methyl-5-(oxolan-3-yl)pyrazole

1-(cyclopropylmethyl)-3-methyl-5-(oxolan-3-yl)pyrazole (PubChem CID 123681065) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-methyl-5-(oxolan-3-yl)pyrazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-methyl-5-(oxolan-3-yl)pyrazole
PubChem CID123681065
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(cyclopropylmethyl)-3-methyl-5-(oxolan-3-yl)pyrazole
SMILESCc1cc(C2CCOC2)n(CC2CC2)n1
InChIInChI=1S/C12H18N2O/c1-9-6-12(11-4-5-15-8-11)14(13-9)7-10-2-3-10/h6,10-11H,2-5,7-8H2,1H3
InChIKeyWHWHTFHIKMSNBJ-UHFFFAOYSA-N
XLogP2.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-methyl-5-(oxolan-3-yl)pyrazole?
The IUPAC name of 1-(cyclopropylmethyl)-3-methyl-5-(oxolan-3-yl)pyrazole (CID 123681065) is 1-(cyclopropylmethyl)-3-methyl-5-(oxolan-3-yl)pyrazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-methyl-5-(oxolan-3-yl)pyrazole?
The canonical SMILES for 1-(cyclopropylmethyl)-3-methyl-5-(oxolan-3-yl)pyrazole is Cc1cc(C2CCOC2)n(CC2CC2)n1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-methyl-5-(oxolan-3-yl)pyrazole?
The InChIKey is WHWHTFHIKMSNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-6-12(11-4-5-15-8-11)14(13-9)7-10-2-3-10/h6,10-11H,2-5,7-8H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-3-methyl-5-(oxolan-3-yl)pyrazole?
1-(cyclopropylmethyl)-3-methyl-5-(oxolan-3-yl)pyrazole has a molecular weight of 206.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-methyl-5-(oxolan-3-yl)pyrazole is sourced from PubChem (CID 123681065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).