2-amino-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one

C17H22N4O — CID 120597079

IUPAC2-amino-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one
SMILESCn1cc(C2CCN(C(=O)C(C)(N)c3ccccc3)C2)cn1
InChIInChI=1S/C17H22N4O/c1-17(18,15-6-4-3-5-7-15)16(22)21-9-8-13(12-21)14-10-19-20(2)11-14/h3-7,10-11,13H,8-9,12,18H2,1-2H3
InChIKeyYZZUWOHLHNVWQT-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.61
Rot. Bonds3

About 2-amino-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one

2-amino-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one (PubChem CID 120597079) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-amino-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one
PubChem CID120597079
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-amino-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one
SMILESCn1cc(C2CCN(C(=O)C(C)(N)c3ccccc3)C2)cn1
InChIInChI=1S/C17H22N4O/c1-17(18,15-6-4-3-5-7-15)16(22)21-9-8-13(12-21)14-10-19-20(2)11-14/h3-7,10-11,13H,8-9,12,18H2,1-2H3
InChIKeyYZZUWOHLHNVWQT-UHFFFAOYSA-N
XLogP1.61
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 120588873
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-amino-2-phenylpropan-1-one
CID 120592446
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 62488931
2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one
CID 102957634
indolizin-2-yl-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 126792701
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 106586749
2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 120593719
1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 103195275
2-amino-1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080376
2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one
CID 120595139
2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120593588

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of 2-amino-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one (CID 120597079) is 2-amino-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one is Cn1cc(C2CCN(C(=O)C(C)(N)c3ccccc3)C2)cn1.
What is the InChIKey of 2-amino-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one?
The InChIKey is YZZUWOHLHNVWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-17(18,15-6-4-3-5-7-15)16(22)21-9-8-13(12-21)14-10-19-20(2)11-14/h3-7,10-11,13H,8-9,12,18H2,1-2H3.
What are the key properties of 2-amino-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one?
2-amino-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one has a molecular weight of 298.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 120597079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).