2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one

C12H20N2O — CID 114972349

IUPAC2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one
SMILESCCCn1nccc1C(=O)C(C)(C)CC
InChIInChI=1S/C12H20N2O/c1-5-9-14-10(7-8-13-14)11(15)12(3,4)6-2/h7-8H,5-6,9H2,1-4H3
InChIKeyXQKYXARIFZRDFO-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.91
Rot. Bonds5

About 2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one

2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one (PubChem CID 114972349) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one
PubChem CID114972349
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one
SMILESCCCn1nccc1C(=O)C(C)(C)CC
InChIInChI=1S/C12H20N2O/c1-5-9-14-10(7-8-13-14)11(15)12(3,4)6-2/h7-8H,5-6,9H2,1-4H3
InChIKeyXQKYXARIFZRDFO-UHFFFAOYSA-N
XLogP2.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 103447030
2-methyl-2-piperidin-1-yl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 79065501
2-propylpyrazole-3-carboxylic acid
CID 7017775
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
CID 103451384
(E)-1-(2-propylpyrazol-3-yl)but-2-en-1-one
CID 103453337
2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one
CID 116592620
2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one
CID 103447067
azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312
3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116612216
1-(2-ethylpyrazol-3-yl)-2-methoxy-2-methylbutan-1-one
CID 116746800
azetidin-3-yl-(2-propylpyrazol-3-yl)methanone
CID 116583695

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one (CID 114972349) is 2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one is CCCn1nccc1C(=O)C(C)(C)CC.
What is the InChIKey of 2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one?
The InChIKey is XQKYXARIFZRDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-9-14-10(7-8-13-14)11(15)12(3,4)6-2/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one?
2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one has a molecular weight of 208.30 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one is sourced from PubChem (CID 114972349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).