2-[(2R)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C19H26N4O — CID 96549122

IUPAC2-[(2R)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1cc(C)cc([C@H]2CCCN2CC(=O)Nc2c(C)n[nH]c2C)c1
InChIInChI=1S/C19H26N4O/c1-12-8-13(2)10-16(9-12)17-6-5-7-23(17)11-18(24)20-19-14(3)21-22-15(19)4/h8-10,17H,5-7,11H2,1-4H3,(H,20,24)(H,21,22)/t17-/m1/s1
InChIKeyYZUZQPGEFWEUDE-QGZVFWFLSA-N
MW326.44 g/mol
LogP3.42
Rot. Bonds4

About 2-[(2R)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

2-[(2R)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 96549122) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[(2R)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID96549122
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[(2R)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1cc(C)cc([C@H]2CCCN2CC(=O)Nc2c(C)n[nH]c2C)c1
InChIInChI=1S/C19H26N4O/c1-12-8-13(2)10-16(9-12)17-6-5-7-23(17)11-18(24)20-19-14(3)21-22-15(19)4/h8-10,17H,5-7,11H2,1-4H3,(H,20,24)(H,21,22)/t17-/m1/s1
InChIKeyYZUZQPGEFWEUDE-QGZVFWFLSA-N
XLogP3.42
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-[(2R)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 96549122) is 2-[(2R)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[(2R)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-[(2R)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1cc(C)cc([C@H]2CCCN2CC(=O)Nc2c(C)n[nH]c2C)c1.
What is the InChIKey of 2-[(2R)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is YZUZQPGEFWEUDE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N4O/c1-12-8-13(2)10-16(9-12)17-6-5-7-23(17)11-18(24)20-19-14(3)21-22-15(19)4/h8-10,17H,5-7,11H2,1-4H3,(H,20,24)(H,21,22)/t17-/m1/s1.
What are the key properties of 2-[(2R)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
2-[(2R)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 96549122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).