2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

C13H22N4O — CID 115762300

IUPAC2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCn1nccc1CNC(C)C(=O)N1CCCC1
InChIInChI=1S/C13H22N4O/c1-3-17-12(6-7-15-17)10-14-11(2)13(18)16-8-4-5-9-16/h6-7,11,14H,3-5,8-10H2,1-2H3
InChIKeyWRZUHTBTUIONIK-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.00
Rot. Bonds5

About 2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 115762300) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID115762300
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCn1nccc1CNC(C)C(=O)N1CCCC1
InChIInChI=1S/C13H22N4O/c1-3-17-12(6-7-15-17)10-14-11(2)13(18)16-8-4-5-9-16/h6-7,11,14H,3-5,8-10H2,1-2H3
InChIKeyWRZUHTBTUIONIK-UHFFFAOYSA-N
XLogP1.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 115761675
2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 106417708
(2R)-N-[(2-ethylpyrazol-3-yl)methyl]-3-methylbutan-2-amine
CID 97358257
2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid
CID 114555699
1-(azepan-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one
CID 104589380
(1R)-1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 104939445
2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 62392311
2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol
CID 115762526
2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 106832007
(1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 104587715
1-(azepan-1-yl)-2-[(2-chlorophenyl)methylamino]propan-1-one
CID 43087131
2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115579711

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 115762300) is 2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is CCn1nccc1CNC(C)C(=O)N1CCCC1.
What is the InChIKey of 2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is WRZUHTBTUIONIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-17-12(6-7-15-17)10-14-11(2)13(18)16-8-4-5-9-16/h6-7,11,14H,3-5,8-10H2,1-2H3.
What are the key properties of 2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 250.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 115762300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).