4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole

C12H22N2 — CID 164784593

IUPAC4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole
SMILESCCC(C)(C)Cc1cnn(C(C)C)c1
InChIInChI=1S/C12H22N2/c1-6-12(4,5)7-11-8-13-14(9-11)10(2)3/h8-10H,6-7H2,1-5H3
InChIKeyRTLUJGNGNONNMS-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.44
Rot. Bonds4

About 4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole

4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole (PubChem CID 164784593) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole
PubChem CID164784593
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole
SMILESCCC(C)(C)Cc1cnn(C(C)C)c1
InChIInChI=1S/C12H22N2/c1-6-12(4,5)7-11-8-13-14(9-11)10(2)3/h8-10H,6-7H2,1-5H3
InChIKeyRTLUJGNGNONNMS-UHFFFAOYSA-N
XLogP3.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 115630774
3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 113243338
methane;4-(2-methylpropyl)-1-propan-2-ylpyrazole
CID 159150030
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 115623040
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
4-(3-chloropropyl)-1-propan-2-ylpyrazole
CID 62719458
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
CID 103817805
1-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 115697833
N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine;hydrochloride
CID 126967036
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 103825746
2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103817661

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole?
The IUPAC name of 4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole (CID 164784593) is 4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole is CCC(C)(C)Cc1cnn(C(C)C)c1.
What is the InChIKey of 4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole?
The InChIKey is RTLUJGNGNONNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-12(4,5)7-11-8-13-14(9-11)10(2)3/h8-10H,6-7H2,1-5H3.
What are the key properties of 4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole?
4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole has a molecular weight of 194.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 164784593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).