3-methyl-1-(oxan-3-ylmethyl)pyrazole

C10H16N2O — CID 130610539

IUPAC3-methyl-1-(oxan-3-ylmethyl)pyrazole
SMILESCc1ccn(CC2CCCOC2)n1
InChIInChI=1S/C10H16N2O/c1-9-4-5-12(11-9)7-10-3-2-6-13-8-10/h4-5,10H,2-3,6-8H2,1H3
InChIKeyJYMBUNWWQRZFIB-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.62
Rot. Bonds2

About 3-methyl-1-(oxan-3-ylmethyl)pyrazole

3-methyl-1-(oxan-3-ylmethyl)pyrazole (PubChem CID 130610539) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-methyl-1-(oxan-3-ylmethyl)pyrazole.

Molecular Properties

Compound Name3-methyl-1-(oxan-3-ylmethyl)pyrazole
PubChem CID130610539
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-methyl-1-(oxan-3-ylmethyl)pyrazole
SMILESCc1ccn(CC2CCCOC2)n1
InChIInChI=1S/C10H16N2O/c1-9-4-5-12(11-9)7-10-3-2-6-13-8-10/h4-5,10H,2-3,6-8H2,1H3
InChIKeyJYMBUNWWQRZFIB-UHFFFAOYSA-N
XLogP1.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-(oxan-3-ylmethyl)pyrazol-3-amine
CID 165473968
4-methyl-1-(oxan-3-ylmethyl)-N-phenylimidazol-2-amine
CID 106566017
1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine
CID 122240744
1-[1-[[(3S)-oxan-3-yl]methyl]pyrazol-4-yl]ethanone
CID 129498995
N-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
CID 78921663
[1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol
CID 121207451
5-methyl-1-(oxan-3-ylmethyl)tetrazole
CID 54156265
2-(chloromethyl)-5-methyl-3-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 81136393
3-ethyl-1-(oxan-3-ylmethyl)-5-(trifluoromethyl)pyrazole
CID 157042333
4-bromo-3-methyl-1-(oxan-3-ylmethyl)pyrazol-5-amine
CID 63741638
4-ethynyl-1-(oxan-3-ylmethyl)pyrazole
CID 122240733
2-(1-chloroethyl)-5-methyl-3-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 81136315

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-3-ylmethyl)pyrazole?
The IUPAC name of 3-methyl-1-(oxan-3-ylmethyl)pyrazole (CID 130610539) is 3-methyl-1-(oxan-3-ylmethyl)pyrazole.
What is the SMILES notation for 3-methyl-1-(oxan-3-ylmethyl)pyrazole?
The canonical SMILES for 3-methyl-1-(oxan-3-ylmethyl)pyrazole is Cc1ccn(CC2CCCOC2)n1.
What is the InChIKey of 3-methyl-1-(oxan-3-ylmethyl)pyrazole?
The InChIKey is JYMBUNWWQRZFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9-4-5-12(11-9)7-10-3-2-6-13-8-10/h4-5,10H,2-3,6-8H2,1H3.
What are the key properties of 3-methyl-1-(oxan-3-ylmethyl)pyrazole?
3-methyl-1-(oxan-3-ylmethyl)pyrazole has a molecular weight of 180.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-3-ylmethyl)pyrazole is sourced from PubChem (CID 130610539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).