1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide

C15H18N4OS — CID 43475571

IUPAC1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(-c2ccccc2N)n1)C1CCSC1
InChIInChI=1S/C15H18N4OS/c1-18(11-7-9-21-10-11)15(20)13-6-8-19(17-13)14-5-3-2-4-12(14)16/h2-6,8,11H,7,9-10,16H2,1H3
InChIKeyNFOWNMUTGZKIQS-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.03
Rot. Bonds3

About 1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide

1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide (PubChem CID 43475571) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide
PubChem CID43475571
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(-c2ccccc2N)n1)C1CCSC1
InChIInChI=1S/C15H18N4OS/c1-18(11-7-9-21-10-11)15(20)13-6-8-19(17-13)14-5-3-2-4-12(14)16/h2-6,8,11H,7,9-10,16H2,1H3
InChIKeyNFOWNMUTGZKIQS-UHFFFAOYSA-N
XLogP2.03
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide
CID 82733530
1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide
CID 43475556
1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide
CID 43569580
6-amino-N-methyl-N-(thiolan-3-yl)pyridazine-3-carboxamide
CID 62154089
1-(2-aminophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide
CID 79379901
1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 43570572
1-(2-aminophenyl)pyrazole-3-carboxamide
CID 43475524
2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid
CID 43296386
[1-(2-aminophenyl)pyrazol-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 43475528
cyclobutyl 1-(2-aminophenyl)pyrazole-3-carboxylate
CID 62383835
1-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpyrazole-3-carboxamide
CID 81037219
5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 62954377

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide (CID 43475571) is 1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide is CN(C(=O)c1ccn(-c2ccccc2N)n1)C1CCSC1.
What is the InChIKey of 1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide?
The InChIKey is NFOWNMUTGZKIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-18(11-7-9-21-10-11)15(20)13-6-8-19(17-13)14-5-3-2-4-12(14)16/h2-6,8,11H,7,9-10,16H2,1H3.
What are the key properties of 1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide?
1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 43475571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).