4-amino-1-ethyl-N-(2-prop-2-enylsulfanylphenyl)pyrazole-5-carboxamide

C15H18N4OS — CID 65357588

IUPAC4-amino-1-ethyl-N-(2-prop-2-enylsulfanylphenyl)pyrazole-5-carboxamide
SMILESC=CCSc1ccccc1NC(=O)c1c(N)cnn1CC
InChIInChI=1S/C15H18N4OS/c1-3-9-21-13-8-6-5-7-12(13)18-15(20)14-11(16)10-17-19(14)4-2/h3,5-8,10H,1,4,9,16H2,2H3,(H,18,20)
InChIKeyAEMYGGPEYNVUGK-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.02
Rot. Bonds6

About 4-amino-1-ethyl-N-(2-prop-2-enylsulfanylphenyl)pyrazole-5-carboxamide

4-amino-1-ethyl-N-(2-prop-2-enylsulfanylphenyl)pyrazole-5-carboxamide (PubChem CID 65357588) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-prop-2-enylsulfanylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-prop-2-enylsulfanylphenyl)pyrazole-5-carboxamide
PubChem CID65357588
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name4-amino-1-ethyl-N-(2-prop-2-enylsulfanylphenyl)pyrazole-5-carboxamide
SMILESC=CCSc1ccccc1NC(=O)c1c(N)cnn1CC
InChIInChI=1S/C15H18N4OS/c1-3-9-21-13-8-6-5-7-12(13)18-15(20)14-11(16)10-17-19(14)4-2/h3,5-8,10H,1,4,9,16H2,2H3,(H,18,20)
InChIKeyAEMYGGPEYNVUGK-UHFFFAOYSA-N
XLogP3.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 63103213
3-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 61102392
ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate
CID 60661108
3-amino-2-chloro-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 115930203
4-amino-N-(2,6-diethylphenyl)-1-ethylpyrazole-5-carboxamide
CID 65357426
4-amino-N-(2-cyano-3-methylphenyl)-1-ethylpyrazole-5-carboxamide
CID 107802362
4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide
CID 66124650
(2S)-2-amino-3,3-dimethyl-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 61179400
2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 14995592
2-(aminomethyl)-N-(2-prop-2-enylsulfanylphenyl)pyridine-4-carboxamide
CID 114325909
4-bromo-1-ethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide
CID 4518276
4-amino-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide
CID 65357225

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2-prop-2-enylsulfanylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-prop-2-enylsulfanylphenyl)pyrazole-5-carboxamide (CID 65357588) is 4-amino-1-ethyl-N-(2-prop-2-enylsulfanylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-prop-2-enylsulfanylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-prop-2-enylsulfanylphenyl)pyrazole-5-carboxamide is C=CCSc1ccccc1NC(=O)c1c(N)cnn1CC.
What is the InChIKey of 4-amino-1-ethyl-N-(2-prop-2-enylsulfanylphenyl)pyrazole-5-carboxamide?
The InChIKey is AEMYGGPEYNVUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-3-9-21-13-8-6-5-7-12(13)18-15(20)14-11(16)10-17-19(14)4-2/h3,5-8,10H,1,4,9,16H2,2H3,(H,18,20).
What are the key properties of 4-amino-1-ethyl-N-(2-prop-2-enylsulfanylphenyl)pyrazole-5-carboxamide?
4-amino-1-ethyl-N-(2-prop-2-enylsulfanylphenyl)pyrazole-5-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.02, 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-(2-prop-2-enylsulfanylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 65357588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).