3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide

C19H25N3O2 — CID 51098799

IUPAC3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide
SMILESCc1ccc(CCC(=O)Nc2ccnn2CC2CCOC2)c(C)c1
InChIInChI=1S/C19H25N3O2/c1-14-3-4-17(15(2)11-14)5-6-19(23)21-18-7-9-20-22(18)12-16-8-10-24-13-16/h3-4,7,9,11,16H,5-6,8,10,12-13H2,1-2H3,(H,21,23)
InChIKeyYEJUFDNKLPAHSA-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.11
Rot. Bonds6

About 3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide

3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide (PubChem CID 51098799) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide
PubChem CID51098799
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide
SMILESCc1ccc(CCC(=O)Nc2ccnn2CC2CCOC2)c(C)c1
InChIInChI=1S/C19H25N3O2/c1-14-3-4-17(15(2)11-14)5-6-19(23)21-18-7-9-20-22(18)12-16-8-10-24-13-16/h3-4,7,9,11,16H,5-6,8,10,12-13H2,1-2H3,(H,21,23)
InChIKeyYEJUFDNKLPAHSA-UHFFFAOYSA-N
XLogP3.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide
CID 95631970
3,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
CID 86867525
2-[(2-chlorophenyl)methoxy]-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]acetamide
CID 51098791
N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-1,3-dihydroisoindole-2-carboxamide
CID 99713688
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(2,4-dimethylphenyl)propanamide
CID 32868420
2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
CID 86867514
4-(1,3-dithiolan-2-yl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]benzamide
CID 97077993
1-(2,3-dihydro-1H-inden-2-yl)-3-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]urea
CID 99709604
1-(3-methylphenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]methanesulfonamide
CID 97306998
(E)-3-(3,4-dichlorophenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]prop-2-enamide
CID 75364473
1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]urea
CID 99712004
N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 52519670

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide (CID 51098799) is 3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide is Cc1ccc(CCC(=O)Nc2ccnn2CC2CCOC2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide?
The InChIKey is YEJUFDNKLPAHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-3-4-17(15(2)11-14)5-6-19(23)21-18-7-9-20-22(18)12-16-8-10-24-13-16/h3-4,7,9,11,16H,5-6,8,10,12-13H2,1-2H3,(H,21,23).
What are the key properties of 3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide?
3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide has a molecular weight of 327.43 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 51098799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).