1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide

C14H18N4OS — CID 63981332

IUPAC1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
SMILESCSCCCNC(=O)c1ccn(-c2ccc(N)cc2)n1
InChIInChI=1S/C14H18N4OS/c1-20-10-2-8-16-14(19)13-7-9-18(17-13)12-5-3-11(15)4-6-12/h3-7,9H,2,8,10,15H2,1H3,(H,16,19)
InChIKeyGJYHAMUDVFMEMW-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.94
Rot. Bonds6

About 1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide

1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide (PubChem CID 63981332) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
PubChem CID63981332
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
SMILESCSCCCNC(=O)c1ccn(-c2ccc(N)cc2)n1
InChIInChI=1S/C14H18N4OS/c1-20-10-2-8-16-14(19)13-7-9-18(17-13)12-5-3-11(15)4-6-12/h3-7,9H,2,8,10,15H2,1H3,(H,16,19)
InChIKeyGJYHAMUDVFMEMW-UHFFFAOYSA-N
XLogP1.94
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-N-(3-methylbutyl)pyrazole-3-carboxamide
CID 43475362
1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide
CID 62700733
4-amino-N-(3-methylsulfanylpropyl)benzamide
CID 63981762
N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38047231
N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
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N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
1-(4-aminophenyl)-N-(3-methylpentan-3-yl)pyrazole-3-carboxamide
CID 106327787
1-(4-chlorophenyl)-N-(2-propan-2-ylsulfanylethyl)pyrazole-3-carboxamide
CID 146087634
1-(4-aminophenyl)pyrazole-3-carboxamide
CID 25247604
1-(3-aminophenyl)-N-propylpyrazole-3-carboxamide
CID 43475405
1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide
CID 61115162
1-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)pyrazole-3-carboxamide
CID 104827235

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide (CID 63981332) is 1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide is CSCCCNC(=O)c1ccn(-c2ccc(N)cc2)n1.
What is the InChIKey of 1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide?
The InChIKey is GJYHAMUDVFMEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-20-10-2-8-16-14(19)13-7-9-18(17-13)12-5-3-11(15)4-6-12/h3-7,9H,2,8,10,15H2,1H3,(H,16,19).
What are the key properties of 1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide?
1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 63981332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).