(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]propanamide

C18H23N3O3 — CID 99637184

IUPAC(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]propanamide
SMILESCC[C@]1(C)Oc2ccc(NC(=O)[C@H](C)c3c(C)n[nH]c3C)cc2O1
InChIInChI=1S/C18H23N3O3/c1-6-18(5)23-14-8-7-13(9-15(14)24-18)19-17(22)10(2)16-11(3)20-21-12(16)4/h7-10H,6H2,1-5H3,(H,19,22)(H,20,21)/t10-,18-/m1/s1
InChIKeyIWBSGQIXZKBLOQ-MLCYQJTMSA-N
MW329.40 g/mol
LogP3.67
Rot. Bonds4

About (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]propanamide

(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]propanamide (PubChem CID 99637184) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]propanamide
PubChem CID99637184
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]propanamide
SMILESCC[C@]1(C)Oc2ccc(NC(=O)[C@H](C)c3c(C)n[nH]c3C)cc2O1
InChIInChI=1S/C18H23N3O3/c1-6-18(5)23-14-8-7-13(9-15(14)24-18)19-17(22)10(2)16-11(3)20-21-12(16)4/h7-10H,6H2,1-5H3,(H,19,22)(H,20,21)/t10-,18-/m1/s1
InChIKeyIWBSGQIXZKBLOQ-MLCYQJTMSA-N
XLogP3.67
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 92750043
N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 99637167
N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 20950809
N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 20950820
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-propoxyphenyl)propanamide
CID 86788482
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methoxyphenyl)propanamide
CID 20950780
N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 99637145
N-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 20950798
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 20950805
N-(4-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 86788484
N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylbenzamide
CID 2975835
5-cyano-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-1H-pyrrole-3-carboxamide
CID 99637176

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]propanamide?
The IUPAC name of (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]propanamide (CID 99637184) is (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]propanamide.
What is the SMILES notation for (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]propanamide?
The canonical SMILES for (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]propanamide is CC[C@]1(C)Oc2ccc(NC(=O)[C@H](C)c3c(C)n[nH]c3C)cc2O1.
What is the InChIKey of (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]propanamide?
The InChIKey is IWBSGQIXZKBLOQ-MLCYQJTMSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-6-18(5)23-14-8-7-13(9-15(14)24-18)19-17(22)10(2)16-11(3)20-21-12(16)4/h7-10H,6H2,1-5H3,(H,19,22)(H,20,21)/t10-,18-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]propanamide?
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]propanamide has a molecular weight of 329.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]propanamide is sourced from PubChem (CID 99637184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).