4,5-ditert-butyl-3-methyl-1-propan-2-ylpyrazole

C15H28N2 — CID 154613443

IUPAC4,5-ditert-butyl-3-methyl-1-propan-2-ylpyrazole
SMILESCc1nn(C(C)C)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C15H28N2/c1-10(2)17-13(15(7,8)9)12(11(3)16-17)14(4,5)6/h10H,1-9H3
InChIKeyGDMOIEXITWDNEE-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.37
Rot. Bonds1

About 4,5-ditert-butyl-3-methyl-1-propan-2-ylpyrazole

4,5-ditert-butyl-3-methyl-1-propan-2-ylpyrazole (PubChem CID 154613443) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 4,5-ditert-butyl-3-methyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4,5-ditert-butyl-3-methyl-1-propan-2-ylpyrazole
PubChem CID154613443
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name4,5-ditert-butyl-3-methyl-1-propan-2-ylpyrazole
SMILESCc1nn(C(C)C)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C15H28N2/c1-10(2)17-13(15(7,8)9)12(11(3)16-17)14(4,5)6/h10H,1-9H3
InChIKeyGDMOIEXITWDNEE-UHFFFAOYSA-N
XLogP4.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-4-chloro-3-methyl-1-propan-2-ylpyrazole
CID 171401271
1-[bis(4-tert-butyl-3,5-dimethylpyrazol-1-yl)methyl]-4-tert-butyl-3,5-dimethylpyrazole
CID 139919701
2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol
CID 115020800
4-tert-butyl-1-(difluoromethyl)-3,5-dimethylpyrazole
CID 176644458
4,5-ditert-butyl-3-methyl-1-propylpyrazole
CID 154613438
3,5-ditert-butyl-4-(4-methylphenyl)-1-propan-2-ylpyrazole;platinum
CID 153415279
2-(4,5-ditert-butyl-3-methylpyrazol-1-yl)-N,N-dimethylethanamine
CID 154613427
2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,2-difluoroacetic acid
CID 115038705
4-(4,5-ditert-butyl-3-methylpyrazol-1-yl)butan-1-ol
CID 154613382
5-tert-butyl-3-methyl-1-propan-2-yl-1,2,4-triazole
CID 167038822
4-fluoro-3,5-dimethyl-1-propan-2-ylpyrazole
CID 134417435
5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66028498

Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-3-methyl-1-propan-2-ylpyrazole?
The IUPAC name of 4,5-ditert-butyl-3-methyl-1-propan-2-ylpyrazole (CID 154613443) is 4,5-ditert-butyl-3-methyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 4,5-ditert-butyl-3-methyl-1-propan-2-ylpyrazole?
The canonical SMILES for 4,5-ditert-butyl-3-methyl-1-propan-2-ylpyrazole is Cc1nn(C(C)C)c(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 4,5-ditert-butyl-3-methyl-1-propan-2-ylpyrazole?
The InChIKey is GDMOIEXITWDNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-10(2)17-13(15(7,8)9)12(11(3)16-17)14(4,5)6/h10H,1-9H3.
What are the key properties of 4,5-ditert-butyl-3-methyl-1-propan-2-ylpyrazole?
4,5-ditert-butyl-3-methyl-1-propan-2-ylpyrazole has a molecular weight of 236.40 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-3-methyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 154613443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).