2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one

C14H23N3O — CID 79055851

IUPAC2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCCCn1cc(C(=O)C(C)(C)N2CCCC2)cn1
InChIInChI=1S/C14H23N3O/c1-4-7-17-11-12(10-15-17)13(18)14(2,3)16-8-5-6-9-16/h10-11H,4-9H2,1-3H3
InChIKeyZRGTVCULIMPWIN-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.35
Rot. Bonds5

About 2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one

2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 79055851) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one
PubChem CID79055851
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCCCn1cc(C(=O)C(C)(C)N2CCCC2)cn1
InChIInChI=1S/C14H23N3O/c1-4-7-17-11-12(10-15-17)13(18)14(2,3)16-8-5-6-9-16/h10-11H,4-9H2,1-3H3
InChIKeyZRGTVCULIMPWIN-UHFFFAOYSA-N
XLogP2.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
CID 79052724
2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one
CID 79069238
2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
CID 116592872
2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
CID 79054130
2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one
CID 79060967
2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 120518820
(4-butylcyclohexyl)-(1-propylpyrazol-4-yl)methanone
CID 114963777
2-methyl-1-(1-propylpyrazol-4-yl)prop-2-en-1-one
CID 103446366
4,4,4-trifluoro-1-(1-propylpyrazol-4-yl)butan-1-one
CID 79953421
2,2,2-trifluoro-1-(1-nonylpyrazol-4-yl)ethanone
CID 63754418
N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-1-propylpyrazole-4-carboxamide
CID 99704493
1-(1-propylpyrazol-4-yl)hexan-1-one
CID 114963851

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one (CID 79055851) is 2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one is CCCn1cc(C(=O)C(C)(C)N2CCCC2)cn1.
What is the InChIKey of 2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ZRGTVCULIMPWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-7-17-11-12(10-15-17)13(18)14(2,3)16-8-5-6-9-16/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one?
2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 249.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 79055851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).