4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide

C10H18N4OS — CID 65359115

IUPAC4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCCCSC
InChIInChI=1S/C10H18N4OS/c1-3-14-9(8(11)7-13-14)10(15)12-5-4-6-16-2/h7H,3-6,11H2,1-2H3,(H,12,15)
InChIKeyFLCNSYYKEYKIPX-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.97
Rot. Bonds6

About 4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide

4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide (PubChem CID 65359115) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide
PubChem CID65359115
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCCCSC
InChIInChI=1S/C10H18N4OS/c1-3-14-9(8(11)7-13-14)10(15)12-5-4-6-16-2/h7H,3-6,11H2,1-2H3,(H,12,15)
InChIKeyFLCNSYYKEYKIPX-UHFFFAOYSA-N
XLogP0.97
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.97
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

4-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 65356980
2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate
CID 83202536
4-amino-N-butyl-1-propylpyrazole-5-carboxamide
CID 132586632
4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide
CID 65358766
4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide
CID 19620445
4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide
CID 113412354
4-amino-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 65357279
4-amino-1-ethyl-N-[2-(3-methylbutoxy)ethyl]pyrazole-5-carboxamide
CID 65359199
S-methyl 4-amino-1-ethylpyrazole-5-carbothioate
CID 117219174
4-amino-N-cyclopropyl-1-ethylpyrazole-5-carboxamide
CID 65356982
4-amino-1-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-5-carboxamide
CID 65359190
4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide
CID 65357594

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide (CID 65359115) is 4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NCCCSC.
What is the InChIKey of 4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide?
The InChIKey is FLCNSYYKEYKIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-3-14-9(8(11)7-13-14)10(15)12-5-4-6-16-2/h7H,3-6,11H2,1-2H3,(H,12,15).
What are the key properties of 4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide?
4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide has a molecular weight of 242.35 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 65359115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).