3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide

C20H28N4O2 — CID 124847400

IUPAC3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCN1CC[C@@H](n2nc(C)cc2C)C1
InChIInChI=1S/C20H28N4O2/c1-14-5-6-19(26-4)18(11-14)21-20(25)8-10-23-9-7-17(13-23)24-16(3)12-15(2)22-24/h5-6,11-12,17H,7-10,13H2,1-4H3,(H,21,25)/t17-/m1/s1
InChIKeyKTAUBHIBPCGEEO-QGZVFWFLSA-N
MW356.47 g/mol
LogP3.09
Rot. Bonds6

About 3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide

3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 124847400) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
PubChem CID124847400
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCN1CC[C@@H](n2nc(C)cc2C)C1
InChIInChI=1S/C20H28N4O2/c1-14-5-6-19(26-4)18(11-14)21-20(25)8-10-23-9-7-17(13-23)24-16(3)12-15(2)22-24/h5-6,11-12,17H,7-10,13H2,1-4H3,(H,21,25)/t17-/m1/s1
InChIKeyKTAUBHIBPCGEEO-QGZVFWFLSA-N
XLogP3.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanoylamino]thiophene-2-carboxylic acid
CID 124751915
3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 50958038
N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanamide
CID 91841564
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CID 28807979
3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride
CID 53350774
3-[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 91840395
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 109031290
N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033774
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride
CID 2903032
N-(2-methoxy-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339335
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684932
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide (CID 124847400) is 3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide is COc1ccc(C)cc1NC(=O)CCN1CC[C@@H](n2nc(C)cc2C)C1.
What is the InChIKey of 3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
The InChIKey is KTAUBHIBPCGEEO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-5-6-19(26-4)18(11-14)21-20(25)8-10-23-9-7-17(13-23)24-16(3)12-15(2)22-24/h5-6,11-12,17H,7-10,13H2,1-4H3,(H,21,25)/t17-/m1/s1.
What are the key properties of 3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 356.47 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 124847400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).