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

C18H24N4OS — CID 71988673

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCC(CSc2ccccc2)C1
InChIInChI=1S/C18H24N4OS/c1-13-18(14(2)21-20-13)19-17(23)11-22-9-8-15(10-22)12-24-16-6-4-3-5-7-16/h3-7,15H,8-12H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyHKFMXNKYEQSSIQ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.08
Rot. Bonds6

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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]acetamide (PubChem CID 71988673) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]acetamide
PubChem CID71988673
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCC(CSc2ccccc2)C1
InChIInChI=1S/C18H24N4OS/c1-13-18(14(2)21-20-13)19-17(23)11-22-9-8-15(10-22)12-24-16-6-4-3-5-7-16/h3-7,15H,8-12H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyHKFMXNKYEQSSIQ-UHFFFAOYSA-N
XLogP3.08
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 62063232
2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79612221
1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031207
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(2-phenylethyl)morpholin-4-yl]acetamide
CID 75504911
2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683852
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]acetamide
CID 96540886
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 54910799
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-fluorophenyl)sulfanylacetamide
CID 4791415
2-(4-aminophenyl)sulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43299294
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide
CID 71988957
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 102683128
N-(4-ethyl-5-methyl-1H-pyrazol-3-yl)-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 156585386

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]acetamide (CID 71988673) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]acetamide is Cc1n[nH]c(C)c1NC(=O)CN1CCC(CSc2ccccc2)C1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is HKFMXNKYEQSSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13-18(14(2)21-20-13)19-17(23)11-22-9-8-15(10-22)12-24-16-6-4-3-5-7-16/h3-7,15H,8-12H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 344.48 g/mol, XLogP of 3.08, 6 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-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 71988673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).