4-amino-1-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide

C13H18N4OS — CID 79476461

IUPAC4-amino-1-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(C)CCc2cccs2)n1
InChIInChI=1S/C13H18N4OS/c1-3-17-9-11(14)12(15-17)13(18)16(2)7-6-10-5-4-8-19-10/h4-5,8-9H,3,6-7,14H2,1-2H3
InChIKeyJCHRSMJGSUAZQZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.86
Rot. Bonds5

About 4-amino-1-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide

4-amino-1-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide (PubChem CID 79476461) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide
PubChem CID79476461
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-amino-1-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(C)CCc2cccs2)n1
InChIInChI=1S/C13H18N4OS/c1-3-17-9-11(14)12(15-17)13(18)16(2)7-6-10-5-4-8-19-10/h4-5,8-9H,3,6-7,14H2,1-2H3
InChIKeyJCHRSMJGSUAZQZ-UHFFFAOYSA-N
XLogP1.86
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide
CID 65359090
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362
ethyl 3-[(4-amino-1-ethylpyrazole-3-carbonyl)-methylamino]propanoate
CID 65358214
6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 79487639
3-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 79494822
1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide
CID 107499201
4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 65358594
4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79494740
5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 79487631
3-amino-N-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 79489443
4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82833096
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 65357964

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide (CID 79476461) is 4-amino-1-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)N(C)CCc2cccs2)n1.
What is the InChIKey of 4-amino-1-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide?
The InChIKey is JCHRSMJGSUAZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-3-17-9-11(14)12(15-17)13(18)16(2)7-6-10-5-4-8-19-10/h4-5,8-9H,3,6-7,14H2,1-2H3.
What are the key properties of 4-amino-1-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide?
4-amino-1-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 79476461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).