N-(3-aminopropyl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide

C15H23N5OS — CID 84613523

IUPACN-(3-aminopropyl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nc(-n2nc(C)c(CC(=O)NCCCN)c2C)sc1C
InChIInChI=1S/C15H23N5OS/c1-9-12(4)22-15(18-9)20-11(3)13(10(2)19-20)8-14(21)17-7-5-6-16/h5-8,16H2,1-4H3,(H,17,21)
InChIKeyYGRCDSDFAOEBMY-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.57
Rot. Bonds6

About N-(3-aminopropyl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide

N-(3-aminopropyl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 84613523) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID84613523
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC NameN-(3-aminopropyl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nc(-n2nc(C)c(CC(=O)NCCCN)c2C)sc1C
InChIInChI=1S/C15H23N5OS/c1-9-12(4)22-15(18-9)20-11(3)13(10(2)19-20)8-14(21)17-7-5-6-16/h5-8,16H2,1-4H3,(H,17,21)
InChIKeyYGRCDSDFAOEBMY-UHFFFAOYSA-N
XLogP1.57
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 119407249
N-(3-chlorophenyl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 53045355
N-butyl-2-[2-(4-butyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide
CID 46265315
methyl 4-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]butanoate
CID 31855694
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-1,3-thiazole
CID 65168801
4-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N,N-diethylbutanamide
CID 60513518
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78884828
N-(3-butoxypropyl)-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 31890158
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119502495
2-[3,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]acetic acid
CID 65208615
N-(3-aminopropyl)-2-(3-methyl-1,2-oxazol-4-yl)acetamide
CID 83617752
N-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 19621093

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-(3-aminopropyl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 84613523) is N-(3-aminopropyl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nc(-n2nc(C)c(CC(=O)NCCCN)c2C)sc1C.
What is the InChIKey of N-(3-aminopropyl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is YGRCDSDFAOEBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-9-12(4)22-15(18-9)20-11(3)13(10(2)19-20)8-14(21)17-7-5-6-16/h5-8,16H2,1-4H3,(H,17,21).
What are the key properties of N-(3-aminopropyl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-(3-aminopropyl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 321.45 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 84613523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).