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

C16H22N4OS — CID 96549721

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide
SMILESCc1ccc([C@@H]2CCCN2CC(=O)Nc2c(C)n[nH]c2C)s1
InChIInChI=1S/C16H22N4OS/c1-10-6-7-14(22-10)13-5-4-8-20(13)9-15(21)17-16-11(2)18-19-12(16)3/h6-7,13H,4-5,8-9H2,1-3H3,(H,17,21)(H,18,19)/t13-/m0/s1
InChIKeyYXSJKRJWTBNYRG-ZDUSSCGKSA-N
MW318.45 g/mol
LogP3.17
Rot. Bonds4

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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 96549721) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide
PubChem CID96549721
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide
SMILESCc1ccc([C@@H]2CCCN2CC(=O)Nc2c(C)n[nH]c2C)s1
InChIInChI=1S/C16H22N4OS/c1-10-6-7-14(22-10)13-5-4-8-20(13)9-15(21)17-16-11(2)18-19-12(16)3/h6-7,13H,4-5,8-9H2,1-3H3,(H,17,21)(H,18,19)/t13-/m0/s1
InChIKeyYXSJKRJWTBNYRG-ZDUSSCGKSA-N
XLogP3.17
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide (CID 96549721) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide is Cc1ccc([C@@H]2CCCN2CC(=O)Nc2c(C)n[nH]c2C)s1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is YXSJKRJWTBNYRG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-10-6-7-14(22-10)13-5-4-8-20(13)9-15(21)17-16-11(2)18-19-12(16)3/h6-7,13H,4-5,8-9H2,1-3H3,(H,17,21)(H,18,19)/t13-/m0/s1.
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 318.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 96549721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).