4-chloro-3-(2-methylpropoxymethyl)-1-(2-methylpropyl)pyrazole

C12H21ClN2O — CID 122170596

IUPAC4-chloro-3-(2-methylpropoxymethyl)-1-(2-methylpropyl)pyrazole
SMILESCC(C)COCc1nn(CC(C)C)cc1Cl
InChIInChI=1S/C12H21ClN2O/c1-9(2)5-15-6-11(13)12(14-15)8-16-7-10(3)4/h6,9-10H,5,7-8H2,1-4H3
InChIKeyZCPQQDOHYXYVJR-UHFFFAOYSA-N
MW244.77 g/mol
LogP3.37
Rot. Bonds6

About 4-chloro-3-(2-methylpropoxymethyl)-1-(2-methylpropyl)pyrazole

4-chloro-3-(2-methylpropoxymethyl)-1-(2-methylpropyl)pyrazole (PubChem CID 122170596) has the molecular formula C12H21ClN2O and a molecular weight of 244.77 g/mol. Its IUPAC name is 4-chloro-3-(2-methylpropoxymethyl)-1-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name4-chloro-3-(2-methylpropoxymethyl)-1-(2-methylpropyl)pyrazole
PubChem CID122170596
Molecular FormulaC12H21ClN2O
Molecular Weight244.77 g/mol
Exact Mass244.13
IUPAC Name4-chloro-3-(2-methylpropoxymethyl)-1-(2-methylpropyl)pyrazole
SMILESCC(C)COCc1nn(CC(C)C)cc1Cl
InChIInChI=1S/C12H21ClN2O/c1-9(2)5-15-6-11(13)12(14-15)8-16-7-10(3)4/h6,9-10H,5,7-8H2,1-4H3
InChIKeyZCPQQDOHYXYVJR-UHFFFAOYSA-N
XLogP3.37
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-ethyl-3-(propan-2-yloxymethyl)pyrazole
CID 122170565
3-(butoxymethyl)-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride
CID 122170414
1-butyl-4-iodo-3-(2-methylpropoxymethyl)pyrazole
CID 122170771
4-chloro-3-(2,2-difluoroethoxymethyl)-1-(difluoromethyl)pyrazole
CID 122171826
4-iodo-3-(2-methylpropoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole
CID 122170777
5-chloro-N-methyl-6-(2-methylpropoxymethyl)pyridin-2-amine
CID 62886167
4-chloro-1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole
CID 122170530
3-(2,2-difluoroethoxymethyl)-1-(2,2-difluoroethyl)-4-iodopyrazole
CID 122171854
1-chloro-2-(2-methylpropoxymethyl)benzene
CID 123441834
4-chloro-3-(chloromethyl)-1-ethylpyrazole
CID 90480914
[3-methyl-1-(2-methylpropyl)pyrazol-4-yl] formate
CID 174490934
3-(4-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 43328609

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-methylpropoxymethyl)-1-(2-methylpropyl)pyrazole?
The IUPAC name of 4-chloro-3-(2-methylpropoxymethyl)-1-(2-methylpropyl)pyrazole (CID 122170596) is 4-chloro-3-(2-methylpropoxymethyl)-1-(2-methylpropyl)pyrazole.
What is the SMILES notation for 4-chloro-3-(2-methylpropoxymethyl)-1-(2-methylpropyl)pyrazole?
The canonical SMILES for 4-chloro-3-(2-methylpropoxymethyl)-1-(2-methylpropyl)pyrazole is CC(C)COCc1nn(CC(C)C)cc1Cl.
What is the InChIKey of 4-chloro-3-(2-methylpropoxymethyl)-1-(2-methylpropyl)pyrazole?
The InChIKey is ZCPQQDOHYXYVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O/c1-9(2)5-15-6-11(13)12(14-15)8-16-7-10(3)4/h6,9-10H,5,7-8H2,1-4H3.
What are the key properties of 4-chloro-3-(2-methylpropoxymethyl)-1-(2-methylpropyl)pyrazole?
4-chloro-3-(2-methylpropoxymethyl)-1-(2-methylpropyl)pyrazole has a molecular weight of 244.77 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-methylpropoxymethyl)-1-(2-methylpropyl)pyrazole is sourced from PubChem (CID 122170596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).