1,4-dimethylpyrazole;methylcyclopentane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole

C29H49N7O — CID 164988927

IUPAC1,4-dimethylpyrazole;methylcyclopentane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole
SMILESCC1CCCC1.Cc1cnn(C)c1.Cc1cnn(C)c1C.Cc1n[nH]c(C)c1C.Cc1noc(C)c1C
InChIInChI=1S/2C6H10N2.C6H9NO.C6H12.C5H8N2/c1-5-4-7-8(3)6(5)2;2*1-4-5(2)7-8-6(4)3;1-6-4-2-3-5-6;1-5-3-6-7(2)4-5/h4H,1-3H3;1-3H3,(H,7,8);1-3H3;6H,2-5H2,1H3;3-4H,1-2H3
InChIKeyGOLCBATWIIPBOY-UHFFFAOYSA-N
MW511.76 g/mol
LogP6.90
Rot. Bonds

About 1,4-dimethylpyrazole;methylcyclopentane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole

1,4-dimethylpyrazole;methylcyclopentane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole (PubChem CID 164988927) has the molecular formula C29H49N7O and a molecular weight of 511.76 g/mol. Its IUPAC name is 1,4-dimethylpyrazole;methylcyclopentane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole.

Molecular Properties

Compound Name1,4-dimethylpyrazole;methylcyclopentane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole
PubChem CID164988927
Molecular FormulaC29H49N7O
Molecular Weight511.76 g/mol
Exact Mass511.40
IUPAC Name1,4-dimethylpyrazole;methylcyclopentane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole
SMILESCC1CCCC1.Cc1cnn(C)c1.Cc1cnn(C)c1C.Cc1n[nH]c(C)c1C.Cc1noc(C)c1C
InChIInChI=1S/2C6H10N2.C6H9NO.C6H12.C5H8N2/c1-5-4-7-8(3)6(5)2;2*1-4-5(2)7-8-6(4)3;1-6-4-2-3-5-6;1-5-3-6-7(2)4-5/h4H,1-3H3;1-3H3,(H,7,8);1-3H3;6H,2-5H2,1H3;3-4H,1-2H3
InChIKeyGOLCBATWIIPBOY-UHFFFAOYSA-N
XLogP6.90
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.76
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4,5-trimethyl-2-(1H-pyrazol-4-ylmethyl)-1,2-oxazol-2-ium
CID 147046205
1-cyclopropyl-3-propan-2-ylpyrazole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole
CID 157213949
4-tert-butyl-1-methylpyrazole;3,5-dimethyl-1,2-oxazole;methane;4-propan-2-yl-1H-pyrazole
CID 157776845
1-cyclopropyl-3-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole
CID 159820526
3,5-Dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole
CID 160337394
4-Ethyl-3,5-dimethyl-1,2-oxazole;1-ethyl-5-methylpyrazole;bis(methylcyclopentane);3-methyloxolane;3-methylpentane;3,4,5-trimethyl-1,2-oxazole
CID 160543877
4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole
CID 160786993
4-Tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1-methylpyrazole
CID 162158293
3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole
CID 164989833
3,5-Dimethyl-4-propan-2-yl-1,2-oxazole;ethane;1-methyl-4-propan-2-ylpyrazole
CID 172601639

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpyrazole;methylcyclopentane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole?
The IUPAC name of 1,4-dimethylpyrazole;methylcyclopentane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole (CID 164988927) is 1,4-dimethylpyrazole;methylcyclopentane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole.
What is the SMILES notation for 1,4-dimethylpyrazole;methylcyclopentane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole?
The canonical SMILES for 1,4-dimethylpyrazole;methylcyclopentane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole is CC1CCCC1.Cc1cnn(C)c1.Cc1cnn(C)c1C.Cc1n[nH]c(C)c1C.Cc1noc(C)c1C.
What is the InChIKey of 1,4-dimethylpyrazole;methylcyclopentane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole?
The InChIKey is GOLCBATWIIPBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10N2.C6H9NO.C6H12.C5H8N2/c1-5-4-7-8(3)6(5)2;2*1-4-5(2)7-8-6(4)3;1-6-4-2-3-5-6;1-5-3-6-7(2)4-5/h4H,1-3H3;1-3H3,(H,7,8);1-3H3;6H,2-5H2,1H3;3-4H,1-2H3.
What are the key properties of 1,4-dimethylpyrazole;methylcyclopentane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole?
1,4-dimethylpyrazole;methylcyclopentane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole has a molecular weight of 511.76 g/mol, XLogP of 6.90, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpyrazole;methylcyclopentane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole;3,4,5-trimethyl-1H-pyrazole is sourced from PubChem (CID 164988927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).