4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide

C12H16N4OS — CID 55034284

IUPAC4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide
SMILESCCC(NC(=O)c1n[nH]c(C)c1N)c1cccs1
InChIInChI=1S/C12H16N4OS/c1-3-8(9-5-4-6-18-9)14-12(17)11-10(13)7(2)15-16-11/h4-6,8H,3,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyJYIJNMXONOQCFJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.24
Rot. Bonds4

About 4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 55034284) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID55034284
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide
SMILESCCC(NC(=O)c1n[nH]c(C)c1N)c1cccs1
InChIInChI=1S/C12H16N4OS/c1-3-8(9-5-4-6-18-9)14-12(17)11-10(13)7(2)15-16-11/h4-6,8H,3,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyJYIJNMXONOQCFJ-UHFFFAOYSA-N
XLogP2.24
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-methyl-N-(1-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 62305713
3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide
CID 119132592
N-(1-thiophen-2-ylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 131923513
3-amino-N-(1-thiophen-2-ylpropyl)benzamide
CID 54964756
2-amino-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 62159520
N-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide
CID 56876010
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94344980
N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide
CID 131945847
N-[3-oxo-3-(1-thiophen-2-ylpropylamino)propyl]-1H-indazole-3-carboxamide
CID 170858637
3-(3-aminoprop-1-ynyl)-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 107524027
2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide
CID 114344112
4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082971

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide (CID 55034284) is 4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide is CCC(NC(=O)c1n[nH]c(C)c1N)c1cccs1.
What is the InChIKey of 4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is JYIJNMXONOQCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-3-8(9-5-4-6-18-9)14-12(17)11-10(13)7(2)15-16-11/h4-6,8H,3,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55034284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).