N-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide

C14H18N4OS — CID 62919603

IUPACN-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide
SMILESCCCSc1ccc(N)c(NC(=O)c2ccnn2C)c1
InChIInChI=1S/C14H18N4OS/c1-3-8-20-10-4-5-11(15)12(9-10)17-14(19)13-6-7-16-18(13)2/h4-7,9H,3,8,15H2,1-2H3,(H,17,19)
InChIKeyJAYYKASYWOPQHF-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.76
Rot. Bonds5

About N-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide

N-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 62919603) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide
PubChem CID62919603
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide
SMILESCCCSc1ccc(N)c(NC(=O)c2ccnn2C)c1
InChIInChI=1S/C14H18N4OS/c1-3-8-20-10-4-5-11(15)12(9-10)17-14(19)13-6-7-16-18(13)2/h4-7,9H,3,8,15H2,1-2H3,(H,17,19)
InChIKeyJAYYKASYWOPQHF-UHFFFAOYSA-N
XLogP2.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide
CID 43549022
N-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide
CID 43549040
1-ethyl-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-5-carboxamide
CID 4772781
4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 55178289
N-(2-amino-5-propylsulfanylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949182
1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea
CID 43551185
N-(2-amino-5-propylsulfanylphenyl)-1,4-dioxane-2-carboxamide
CID 62799710
N-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide
CID 107174821
N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide
CID 61239849
N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide
CID 47083946
ethyl 3-bromo-4-[(2-methylpyrazole-3-carbonyl)amino]benzoate
CID 43664920

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide (CID 62919603) is N-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide is CCCSc1ccc(N)c(NC(=O)c2ccnn2C)c1.
What is the InChIKey of N-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is JAYYKASYWOPQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-8-20-10-4-5-11(15)12(9-10)17-14(19)13-6-7-16-18(13)2/h4-7,9H,3,8,15H2,1-2H3,(H,17,19).
What are the key properties of N-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide?
N-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 62919603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).