N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide

C11H12N4O2S — CID 47057481

IUPACN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cnn(CC(N)=O)c1
InChIInChI=1S/C11H12N4O2S/c1-7-2-3-18-10(7)11(17)14-8-4-13-15(5-8)6-9(12)16/h2-5H,6H2,1H3,(H2,12,16)(H,14,17)
InChIKeySJHXVGDKBVTBNT-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.99
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide (PubChem CID 47057481) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide
PubChem CID47057481
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cnn(CC(N)=O)c1
InChIInChI=1S/C11H12N4O2S/c1-7-2-3-18-10(7)11(17)14-8-4-13-15(5-8)6-9(12)16/h2-5H,6H2,1H3,(H2,12,16)(H,14,17)
InChIKeySJHXVGDKBVTBNT-UHFFFAOYSA-N
XLogP0.99
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide
CID 43705831
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-bromo-5-methylbenzamide
CID 104852202
2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide
CID 62793607
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2,5-dichlorothiophene-3-carboxamide
CID 146122700
2-[4-(methanesulfonamido)pyrazol-1-yl]acetamide
CID 61062005
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
CID 107903728
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 47287779
tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate
CID 65143031
2-[4-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]pyrazol-1-yl]acetic acid
CID 66525102
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-bromo-2-hydroxybenzamide
CID 47466044
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide
CID 47287788

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide (CID 47057481) is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cnn(CC(N)=O)c1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is SJHXVGDKBVTBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-7-2-3-18-10(7)11(17)14-8-4-13-15(5-8)6-9(12)16/h2-5H,6H2,1H3,(H2,12,16)(H,14,17).
What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide?
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 47057481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).