2-(3-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one

C17H21N3O2 — CID 138015038

IUPAC2-(3-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESCOc1cccc(C(C)C(=O)N2CCC(c3ccn[nH]3)C2)c1
InChIInChI=1S/C17H21N3O2/c1-12(13-4-3-5-15(10-13)22-2)17(21)20-9-7-14(11-20)16-6-8-18-19-16/h3-6,8,10,12,14H,7,9,11H2,1-2H3,(H,18,19)
InChIKeyUYDUMBKSQUCYHV-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.54
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one

2-(3-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 138015038) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID138015038
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(3-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESCOc1cccc(C(C)C(=O)N2CCC(c3ccn[nH]3)C2)c1
InChIInChI=1S/C17H21N3O2/c1-12(13-4-3-5-15(10-13)22-2)17(21)20-9-7-14(11-20)16-6-8-18-19-16/h3-6,8,10,12,14H,7,9,11H2,1-2H3,(H,18,19)
InChIKeyUYDUMBKSQUCYHV-UHFFFAOYSA-N
XLogP2.54
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95768673
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)propan-1-one
CID 119484020
2-(3-methoxyphenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119560528
2-methyl-3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoic acid
CID 114897652
(2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 79012541
N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide
CID 119479891
(2S)-1-[2-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119366290
(2R)-1-[(2R)-2-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 124591782
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
N-[2-(3-methoxyphenyl)ethyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760381
[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95841606
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-(3-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one (CID 138015038) is 2-(3-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-(3-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one is COc1cccc(C(C)C(=O)N2CCC(c3ccn[nH]3)C2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is UYDUMBKSQUCYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(13-4-3-5-15(10-13)22-2)17(21)20-9-7-14(11-20)16-6-8-18-19-16/h3-6,8,10,12,14H,7,9,11H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one?
2-(3-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 299.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 138015038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).