4-tert-butyl-1-(difluoromethyl)-3,5-dimethylpyrazole

C10H16F2N2 — CID 176644458

IUPAC4-tert-butyl-1-(difluoromethyl)-3,5-dimethylpyrazole
SMILESCc1nn(C(F)F)c(C)c1C(C)(C)C
InChIInChI=1S/C10H16F2N2/c1-6-8(10(3,4)5)7(2)14(13-6)9(11)12/h9H,1-5H3
InChIKeyGQIKUYJPNRWZPI-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.19
Rot. Bonds1

About 4-tert-butyl-1-(difluoromethyl)-3,5-dimethylpyrazole

4-tert-butyl-1-(difluoromethyl)-3,5-dimethylpyrazole (PubChem CID 176644458) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-tert-butyl-1-(difluoromethyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-tert-butyl-1-(difluoromethyl)-3,5-dimethylpyrazole
PubChem CID176644458
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name4-tert-butyl-1-(difluoromethyl)-3,5-dimethylpyrazole
SMILESCc1nn(C(F)F)c(C)c1C(C)(C)C
InChIInChI=1S/C10H16F2N2/c1-6-8(10(3,4)5)7(2)14(13-6)9(11)12/h9H,1-5H3
InChIKeyGQIKUYJPNRWZPI-UHFFFAOYSA-N
XLogP3.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[bis(4-tert-butyl-3,5-dimethylpyrazol-1-yl)methyl]-4-tert-butyl-3,5-dimethylpyrazole
CID 139919701
4,5-ditert-butyl-3-methyl-1-propan-2-ylpyrazole
CID 154613443
[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 62956158
2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol
CID 115020800
1-(difluoromethyl)-3,5-dimethylpyrazole-4-carbaldehyde
CID 62955988
2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,2-difluoroacetic acid
CID 115038705
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride
CID 119608489
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86847878
(2S)-2-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylpentanoic acid
CID 97324057
N-(5-tert-butyl-2-hydroxyphenyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 48691276
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 119575428
1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole
CID 146379292

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(difluoromethyl)-3,5-dimethylpyrazole?
The IUPAC name of 4-tert-butyl-1-(difluoromethyl)-3,5-dimethylpyrazole (CID 176644458) is 4-tert-butyl-1-(difluoromethyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 4-tert-butyl-1-(difluoromethyl)-3,5-dimethylpyrazole?
The canonical SMILES for 4-tert-butyl-1-(difluoromethyl)-3,5-dimethylpyrazole is Cc1nn(C(F)F)c(C)c1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-1-(difluoromethyl)-3,5-dimethylpyrazole?
The InChIKey is GQIKUYJPNRWZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2/c1-6-8(10(3,4)5)7(2)14(13-6)9(11)12/h9H,1-5H3.
What are the key properties of 4-tert-butyl-1-(difluoromethyl)-3,5-dimethylpyrazole?
4-tert-butyl-1-(difluoromethyl)-3,5-dimethylpyrazole has a molecular weight of 202.25 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(difluoromethyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 176644458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).