5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide

C12H16N4OS — CID 115330850

IUPAC5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide
SMILESCC(Cc1cccs1)NC(=O)c1cnn(C)c1N
InChIInChI=1S/C12H16N4OS/c1-8(6-9-4-3-5-18-9)15-12(17)10-7-14-16(2)11(10)13/h3-5,7-8H,6,13H2,1-2H3,(H,15,17)
InChIKeyHVMHXNCHWOERKQ-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.42
Rot. Bonds4

About 5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide

5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide (PubChem CID 115330850) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide
PubChem CID115330850
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide
SMILESCC(Cc1cccs1)NC(=O)c1cnn(C)c1N
InChIInChI=1S/C12H16N4OS/c1-8(6-9-4-3-5-18-9)15-12(17)10-7-14-16(2)11(10)13/h3-5,7-8H,6,13H2,1-2H3,(H,15,17)
InChIKeyHVMHXNCHWOERKQ-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 115540690
3-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 112575891
2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 107358824
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
1-methyl-3-(oxolan-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide
CID 128965565
1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide
CID 129471970
4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 112726741
2-(ethylamino)-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 63107914
4-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 43705091
6-(methylamino)-N-(1-thiophen-2-ylpropan-2-yl)pyridine-2-carboxamide
CID 63296076
4-fluoro-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 112702369
6-oxo-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyridine-2-carboxamide
CID 107261945

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide (CID 115330850) is 5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide is CC(Cc1cccs1)NC(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide?
The InChIKey is HVMHXNCHWOERKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8(6-9-4-3-5-18-9)15-12(17)10-7-14-16(2)11(10)13/h3-5,7-8H,6,13H2,1-2H3,(H,15,17).
What are the key properties of 5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide?
5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 115330850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).