3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]propanamide

C20H28N4O — CID 50958038

IUPAC3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCN2CCC(n3nc(C)cc3C)C2)cc1
InChIInChI=1S/C20H28N4O/c1-15-4-6-18(7-5-15)13-21-20(25)9-11-23-10-8-19(14-23)24-17(3)12-16(2)22-24/h4-7,12,19H,8-11,13-14H2,1-3H3,(H,21,25)
InChIKeyVZQADQMIWPRKTE-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.76
Rot. Bonds6

About 3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]propanamide

3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 50958038) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID50958038
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCN2CCC(n3nc(C)cc3C)C2)cc1
InChIInChI=1S/C20H28N4O/c1-15-4-6-18(7-5-15)13-21-20(25)9-11-23-10-8-19(14-23)24-17(3)12-16(2)22-24/h4-7,12,19H,8-11,13-14H2,1-3H3,(H,21,25)
InChIKeyVZQADQMIWPRKTE-UHFFFAOYSA-N
XLogP2.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanamide
CID 91841564
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109019797
N-[(4-methylphenyl)methyl]-3-[(1S,9S)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]propanamide
CID 118794381
N-(3,5-dimethoxyphenyl)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]acetamide
CID 95129086
N-[(4-methylphenyl)methyl]-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide
CID 95554541
N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109019767
2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 95141116
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119933946
3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole
CID 50978885
(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide
CID 92693207
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 36543812

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]propanamide (CID 50958038) is 3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCN2CCC(n3nc(C)cc3C)C2)cc1.
What is the InChIKey of 3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is VZQADQMIWPRKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15-4-6-18(7-5-15)13-21-20(25)9-11-23-10-8-19(14-23)24-17(3)12-16(2)22-24/h4-7,12,19H,8-11,13-14H2,1-3H3,(H,21,25).
What are the key properties of 3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]propanamide?
3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 340.47 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 50958038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).