1-(difluoromethyl)-5-(2-methylpropoxymethyl)pyrazole

C9H14F2N2O — CID 122170927

IUPAC1-(difluoromethyl)-5-(2-methylpropoxymethyl)pyrazole
SMILESCC(C)COCc1ccnn1C(F)F
InChIInChI=1S/C9H14F2N2O/c1-7(2)5-14-6-8-3-4-12-13(8)9(10)11/h3-4,7,9H,5-6H2,1-2H3
InChIKeyPXZREFNKYZCGPG-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.45
Rot. Bonds5

About 1-(difluoromethyl)-5-(2-methylpropoxymethyl)pyrazole

1-(difluoromethyl)-5-(2-methylpropoxymethyl)pyrazole (PubChem CID 122170927) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-(2-methylpropoxymethyl)pyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-5-(2-methylpropoxymethyl)pyrazole
PubChem CID122170927
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name1-(difluoromethyl)-5-(2-methylpropoxymethyl)pyrazole
SMILESCC(C)COCc1ccnn1C(F)F
InChIInChI=1S/C9H14F2N2O/c1-7(2)5-14-6-8-3-4-12-13(8)9(10)11/h3-4,7,9H,5-6H2,1-2H3
InChIKeyPXZREFNKYZCGPG-UHFFFAOYSA-N
XLogP2.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-(2-methylpropoxymethyl)pyrazole
CID 122170922
5-(butoxymethyl)-1-propan-2-ylpyrazole
CID 122170911
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N-methylethanamine
CID 176568753
1-butan-2-yl-5-(butoxymethyl)pyrazole
CID 122170917
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine
CID 122167209
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 122167328
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 122166067
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
CID 126967408
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126966257
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(3-methoxyphenyl)methanamine
CID 122168299
N-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine
CID 114556013
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(3,5-difluorophenyl)methyl]methanamine
CID 122168230

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-(2-methylpropoxymethyl)pyrazole?
The IUPAC name of 1-(difluoromethyl)-5-(2-methylpropoxymethyl)pyrazole (CID 122170927) is 1-(difluoromethyl)-5-(2-methylpropoxymethyl)pyrazole.
What is the SMILES notation for 1-(difluoromethyl)-5-(2-methylpropoxymethyl)pyrazole?
The canonical SMILES for 1-(difluoromethyl)-5-(2-methylpropoxymethyl)pyrazole is CC(C)COCc1ccnn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-5-(2-methylpropoxymethyl)pyrazole?
The InChIKey is PXZREFNKYZCGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-7(2)5-14-6-8-3-4-12-13(8)9(10)11/h3-4,7,9H,5-6H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-5-(2-methylpropoxymethyl)pyrazole?
1-(difluoromethyl)-5-(2-methylpropoxymethyl)pyrazole has a molecular weight of 204.22 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-(2-methylpropoxymethyl)pyrazole is sourced from PubChem (CID 122170927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).