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

C12H16N4OS — CID 65358416

IUPAC4-amino-1-ethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NC(C)c2cccs2)n1
InChIInChI=1S/C12H16N4OS/c1-3-16-7-9(13)11(15-16)12(17)14-8(2)10-5-4-6-18-10/h4-8H,3,13H2,1-2H3,(H,14,17)
InChIKeyHTPCFGUPSXDJOX-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.04
Rot. Bonds4

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

4-amino-1-ethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide (PubChem CID 65358416) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide
PubChem CID65358416
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-amino-1-ethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NC(C)c2cccs2)n1
InChIInChI=1S/C12H16N4OS/c1-3-16-7-9(13)11(15-16)12(17)14-8(2)10-5-4-6-18-10/h4-8H,3,13H2,1-2H3,(H,14,17)
InChIKeyHTPCFGUPSXDJOX-UHFFFAOYSA-N
XLogP2.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazole-3-carboxamide
CID 65357917
4-amino-1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide
CID 65357729
4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide
CID 104827278
4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide
CID 79248411
methyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-methylbutanoate
CID 65358129
2-(3-aminopyrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 62102541
4-amino-1-ethyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrazole-3-carboxamide
CID 107860614
2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81407916
4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide
CID 19620451
6-amino-3-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62155473
4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide
CID 114098963
4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 43643699

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide (CID 65358416) is 4-amino-1-ethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NC(C)c2cccs2)n1.
What is the InChIKey of 4-amino-1-ethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide?
The InChIKey is HTPCFGUPSXDJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-3-16-7-9(13)11(15-16)12(17)14-8(2)10-5-4-6-18-10/h4-8H,3,13H2,1-2H3,(H,14,17).
What are the key properties of 4-amino-1-ethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide?
4-amino-1-ethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 65358416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).