4-amino-N,1-dimethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide

C12H16N4OS — CID 65354170

IUPAC4-amino-N,1-dimethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide
SMILESCC(c1cccs1)N(C)C(=O)c1nn(C)cc1N
InChIInChI=1S/C12H16N4OS/c1-8(10-5-4-6-18-10)16(3)12(17)11-9(13)7-15(2)14-11/h4-8H,13H2,1-3H3
InChIKeyKEIFIKAQHSSGPP-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.90
Rot. Bonds3

About 4-amino-N,1-dimethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide

4-amino-N,1-dimethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide (PubChem CID 65354170) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-amino-N,1-dimethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,1-dimethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide
PubChem CID65354170
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-amino-N,1-dimethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide
SMILESCC(c1cccs1)N(C)C(=O)c1nn(C)cc1N
InChIInChI=1S/C12H16N4OS/c1-8(10-5-4-6-18-10)16(3)12(17)11-9(13)7-15(2)14-11/h4-8H,13H2,1-3H3
InChIKeyKEIFIKAQHSSGPP-UHFFFAOYSA-N
XLogP1.90
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 65354207
3-amino-N-methyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61110711
N-methyl-4-oxo-3-propan-2-yl-N-[(1S)-1-thiophen-2-ylethyl]phthalazine-1-carboxamide
CID 94482644
2-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 61109028
4-amino-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 55041564
3,6-dichloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 42923047
5-amino-2-(dimethylamino)-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 61110537
2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 61109023
2-amino-4-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 63110194
2-amino-N-methyl-2-thiophen-2-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 115286728
(2R)-2-amino-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119291307
N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide
CID 107025969

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1-dimethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N,1-dimethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide (CID 65354170) is 4-amino-N,1-dimethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,1-dimethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N,1-dimethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide is CC(c1cccs1)N(C)C(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-N,1-dimethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide?
The InChIKey is KEIFIKAQHSSGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8(10-5-4-6-18-10)16(3)12(17)11-9(13)7-15(2)14-11/h4-8H,13H2,1-3H3.
What are the key properties of 4-amino-N,1-dimethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide?
4-amino-N,1-dimethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1-dimethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 65354170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).