methyl 1-[3-(1-methylpyrazol-4-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylate

C19H23N3O3 — CID 122152210

IUPACmethyl 1-[3-(1-methylpyrazol-4-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)CCc2cnn(C)c2)CC1c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-21-11-14(10-20-21)8-9-18(23)22-12-16(15-6-4-3-5-7-15)17(13-22)19(24)25-2/h3-7,10-11,16-17H,8-9,12-13H2,1-2H3
InChIKeyXACZWVGNLJVBDD-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.77
Rot. Bonds5

About methyl 1-[3-(1-methylpyrazol-4-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylate

methyl 1-[3-(1-methylpyrazol-4-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylate (PubChem CID 122152210) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 1-[3-(1-methylpyrazol-4-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(1-methylpyrazol-4-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylate
PubChem CID122152210
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namemethyl 1-[3-(1-methylpyrazol-4-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)CCc2cnn(C)c2)CC1c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-21-11-14(10-20-21)8-9-18(23)22-12-16(15-6-4-3-5-7-15)17(13-22)19(24)25-2/h3-7,10-11,16-17H,8-9,12-13H2,1-2H3
InChIKeyXACZWVGNLJVBDD-UHFFFAOYSA-N
XLogP1.77
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzyl-6-methyl-1,4-diazepan-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 122152031
1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 124590081
4-[[[(3S,4S)-3-methoxycarbonyl-4-phenylpyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122019923
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 120749289
3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 26317752
1-[4-(methylamino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 175658528
(3R,4S)-1-(3-methylsulfanylpropanoyl)-4-phenylpyrrolidine-3-carboxylic acid
CID 133129117
methyl (3S,4R)-1-[3-(4-ethoxyphenyl)propanoyl]-4-thiophen-3-ylpyrrolidine-3-carboxylate
CID 99787774
(3S,4R)-4-(3-methoxyphenyl)-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 70788176
(3R)-3-benzyl-4-[3-(1-methylpyrazol-4-yl)propanoyl]-1,4-diazepan-2-one
CID 125143869
1-(3-amino-4-cyclopropylpyrrolidin-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 156603109
3-(1-methylpyrazol-4-yl)-1-(2-phenylcyclopropyl)propan-1-ol
CID 103027785

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(1-methylpyrazol-4-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[3-(1-methylpyrazol-4-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylate (CID 122152210) is methyl 1-[3-(1-methylpyrazol-4-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[3-(1-methylpyrazol-4-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[3-(1-methylpyrazol-4-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylate is COC(=O)C1CN(C(=O)CCc2cnn(C)c2)CC1c1ccccc1.
What is the InChIKey of methyl 1-[3-(1-methylpyrazol-4-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylate?
The InChIKey is XACZWVGNLJVBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-21-11-14(10-20-21)8-9-18(23)22-12-16(15-6-4-3-5-7-15)17(13-22)19(24)25-2/h3-7,10-11,16-17H,8-9,12-13H2,1-2H3.
What are the key properties of methyl 1-[3-(1-methylpyrazol-4-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylate?
methyl 1-[3-(1-methylpyrazol-4-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(1-methylpyrazol-4-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 122152210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).