4-(oxolan-3-ylmethyl)-1H-pyrazole

C8H12N2O — CID 164783012

IUPAC4-(oxolan-3-ylmethyl)-1H-pyrazole
SMILESc1n[nH]cc1CC1CCOC1
InChIInChI=1S/C8H12N2O/c1-2-11-6-7(1)3-8-4-9-10-5-8/h4-5,7H,1-3,6H2,(H,9,10)
InChIKeyWTOWSITTXSSONU-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.99
Rot. Bonds2

About 4-(oxolan-3-ylmethyl)-1H-pyrazole

4-(oxolan-3-ylmethyl)-1H-pyrazole (PubChem CID 164783012) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-(oxolan-3-ylmethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(oxolan-3-ylmethyl)-1H-pyrazole
PubChem CID164783012
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-(oxolan-3-ylmethyl)-1H-pyrazole
SMILESc1n[nH]cc1CC1CCOC1
InChIInChI=1S/C8H12N2O/c1-2-11-6-7(1)3-8-4-9-10-5-8/h4-5,7H,1-3,6H2,(H,9,10)
InChIKeyWTOWSITTXSSONU-UHFFFAOYSA-N
XLogP0.99
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-ylmethyl)-1H-pyrazole?
The IUPAC name of 4-(oxolan-3-ylmethyl)-1H-pyrazole (CID 164783012) is 4-(oxolan-3-ylmethyl)-1H-pyrazole.
What is the SMILES notation for 4-(oxolan-3-ylmethyl)-1H-pyrazole?
The canonical SMILES for 4-(oxolan-3-ylmethyl)-1H-pyrazole is c1n[nH]cc1CC1CCOC1.
What is the InChIKey of 4-(oxolan-3-ylmethyl)-1H-pyrazole?
The InChIKey is WTOWSITTXSSONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-11-6-7(1)3-8-4-9-10-5-8/h4-5,7H,1-3,6H2,(H,9,10).
What are the key properties of 4-(oxolan-3-ylmethyl)-1H-pyrazole?
4-(oxolan-3-ylmethyl)-1H-pyrazole has a molecular weight of 152.20 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-ylmethyl)-1H-pyrazole is sourced from PubChem (CID 164783012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).