2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide

C10H18N4OS — CID 103087519

IUPAC2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide
SMILESCSCCCCNc1cnn(CC(N)=O)c1
InChIInChI=1S/C10H18N4OS/c1-16-5-3-2-4-12-9-6-13-14(7-9)8-10(11)15/h6-7,12H,2-5,8H2,1H3,(H2,11,15)
InChIKeyDMQAKKRCXYDDEL-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.92
Rot. Bonds8

About 2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide

2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide (PubChem CID 103087519) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide
PubChem CID103087519
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide
SMILESCSCCCCNc1cnn(CC(N)=O)c1
InChIInChI=1S/C10H18N4OS/c1-16-5-3-2-4-12-9-6-13-14(7-9)8-10(11)15/h6-7,12H,2-5,8H2,1H3,(H2,11,15)
InChIKeyDMQAKKRCXYDDEL-UHFFFAOYSA-N
XLogP0.92
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(butylamino)pyrazol-1-yl]acetamide
CID 43695314
N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide
CID 60932429
2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide
CID 54866489
tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate
CID 65143031
2-[4-[(4-ethylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695116
2-[4-(methanesulfonamido)pyrazol-1-yl]acetamide
CID 61062005
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
CID 107903728
2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695086
4-(4-methylsulfanylbutylamino)benzamide
CID 103087176
2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 106816369
methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate
CID 54904175
2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695305

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide (CID 103087519) is 2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide is CSCCCCNc1cnn(CC(N)=O)c1.
What is the InChIKey of 2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide?
The InChIKey is DMQAKKRCXYDDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-16-5-3-2-4-12-9-6-13-14(7-9)8-10(11)15/h6-7,12H,2-5,8H2,1H3,(H2,11,15).
What are the key properties of 2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide?
2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide has a molecular weight of 242.35 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 103087519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).