1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone

C17H22N4O3 — CID 154787522

IUPAC1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3[nH]ncc3N)C2)cc1OC
InChIInChI=1S/C17H22N4O3/c1-23-14-4-3-11(7-15(14)24-2)8-16(22)21-6-5-12(10-21)17-13(18)9-19-20-17/h3-4,7,9,12H,5-6,8,10,18H2,1-2H3,(H,19,20)
InChIKeyFWVMVCXRJLBCTN-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.57
Rot. Bonds5

About 1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone

1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone (PubChem CID 154787522) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
PubChem CID154787522
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3[nH]ncc3N)C2)cc1OC
InChIInChI=1S/C17H22N4O3/c1-23-14-4-3-11(7-15(14)24-2)8-16(22)21-6-5-12(10-21)17-13(18)9-19-20-17/h3-4,7,9,12H,5-6,8,10,18H2,1-2H3,(H,19,20)
InChIKeyFWVMVCXRJLBCTN-UHFFFAOYSA-N
XLogP1.57
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138379727
1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(2-methylphenoxy)propan-1-one
CID 154783622
1-(3-bromo-4-methylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)ethanone
CID 102962225
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 119594342
1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 70758401
(E)-1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)but-2-en-1-one
CID 167980851
2-(3,4-dimethoxyphenyl)-1-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 72891430
2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110289792
2-(4-hydroxy-3-methoxyphenyl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone
CID 124725307
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 110741082
1-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 127247209
1-[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 42431396

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone (CID 154787522) is 1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCC(c3[nH]ncc3N)C2)cc1OC.
What is the InChIKey of 1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is FWVMVCXRJLBCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-23-14-4-3-11(7-15(14)24-2)8-16(22)21-6-5-12(10-21)17-13(18)9-19-20-17/h3-4,7,9,12H,5-6,8,10,18H2,1-2H3,(H,19,20).
What are the key properties of 1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone?
1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone has a molecular weight of 330.39 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 154787522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).