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

C13H14N4OS — CID 63103213

IUPAC4-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-5-carboxamide
SMILESC=CCSc1ccccc1NC(=O)c1[nH]ncc1N
InChIInChI=1S/C13H14N4OS/c1-2-7-19-11-6-4-3-5-10(11)16-13(18)12-9(14)8-15-17-12/h2-6,8H,1,7,14H2,(H,15,17)(H,16,18)
InChIKeyRTWSHFJZYAHCEO-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.52
Rot. Bonds5

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

4-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 63103213) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID63103213
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name4-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-5-carboxamide
SMILESC=CCSc1ccccc1NC(=O)c1[nH]ncc1N
InChIInChI=1S/C13H14N4OS/c1-2-7-19-11-6-4-3-5-10(11)16-13(18)12-9(14)8-15-17-12/h2-6,8H,1,7,14H2,(H,15,17)(H,16,18)
InChIKeyRTWSHFJZYAHCEO-UHFFFAOYSA-N
XLogP2.52
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-ethyl-N-(2-prop-2-enylsulfanylphenyl)pyrazole-5-carboxamide
CID 65357588
4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 63107036
3-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 61102392
3-amino-2-chloro-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 115930203
2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 14995592
4-oxo-N-(2-prop-2-enylsulfanylphenyl)-3H-phthalazine-1-carboxamide
CID 17414247
5-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-4-sulfonamide
CID 61126088
4-amino-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 63105944
6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60659704
2-(aminomethyl)-N-(2-prop-2-enylsulfanylphenyl)pyridine-4-carboxamide
CID 114325909
ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate
CID 60661108
4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 33002746

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-5-carboxamide (CID 63103213) is 4-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-5-carboxamide is C=CCSc1ccccc1NC(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is RTWSHFJZYAHCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-2-7-19-11-6-4-3-5-10(11)16-13(18)12-9(14)8-15-17-12/h2-6,8H,1,7,14H2,(H,15,17)(H,16,18).
What are the key properties of 4-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63103213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).