2-(3-amino-5-thiophen-2-yl-1H-pyrazol-4-yl)-N-methylacetamide

C10H12N4OS — CID 99992879

IUPAC2-(3-amino-5-thiophen-2-yl-1H-pyrazol-4-yl)-N-methylacetamide
SMILESCNC(=O)Cc1c(N)n[nH]c1-c1cccs1
InChIInChI=1S/C10H12N4OS/c1-12-8(15)5-6-9(13-14-10(6)11)7-3-2-4-16-7/h2-4H,5H2,1H3,(H,12,15)(H3,11,13,14)
InChIKeyLGGKQXRVDCHPKZ-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.01
Rot. Bonds3

About 2-(3-amino-5-thiophen-2-yl-1H-pyrazol-4-yl)-N-methylacetamide

2-(3-amino-5-thiophen-2-yl-1H-pyrazol-4-yl)-N-methylacetamide (PubChem CID 99992879) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-(3-amino-5-thiophen-2-yl-1H-pyrazol-4-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-amino-5-thiophen-2-yl-1H-pyrazol-4-yl)-N-methylacetamide
PubChem CID99992879
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name2-(3-amino-5-thiophen-2-yl-1H-pyrazol-4-yl)-N-methylacetamide
SMILESCNC(=O)Cc1c(N)n[nH]c1-c1cccs1
InChIInChI=1S/C10H12N4OS/c1-12-8(15)5-6-9(13-14-10(6)11)7-3-2-4-16-7/h2-4H,5H2,1H3,(H,12,15)(H3,11,13,14)
InChIKeyLGGKQXRVDCHPKZ-UHFFFAOYSA-N
XLogP1.01
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 54950520
3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid
CID 82470643
3-amino-N-methyl-6-thiophen-2-ylpyrazine-2-carboxamide
CID 68650476
2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanoic acid
CID 54959684
4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxylic acid
CID 70102637
4-bromo-N,N-dimethyl-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 116825997
4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 61496475
5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62502378
N-ethyl-4-methyl-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 63047438
2-phenyl-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)acetamide
CID 42687233
5-thiophen-2-yl-2H-triazol-4-amine
CID 54057272
N-methyl-2-(1-thiophen-2-ylethenylamino)oxyacetamide
CID 90912190

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-thiophen-2-yl-1H-pyrazol-4-yl)-N-methylacetamide?
The IUPAC name of 2-(3-amino-5-thiophen-2-yl-1H-pyrazol-4-yl)-N-methylacetamide (CID 99992879) is 2-(3-amino-5-thiophen-2-yl-1H-pyrazol-4-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3-amino-5-thiophen-2-yl-1H-pyrazol-4-yl)-N-methylacetamide?
The canonical SMILES for 2-(3-amino-5-thiophen-2-yl-1H-pyrazol-4-yl)-N-methylacetamide is CNC(=O)Cc1c(N)n[nH]c1-c1cccs1.
What is the InChIKey of 2-(3-amino-5-thiophen-2-yl-1H-pyrazol-4-yl)-N-methylacetamide?
The InChIKey is LGGKQXRVDCHPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-12-8(15)5-6-9(13-14-10(6)11)7-3-2-4-16-7/h2-4H,5H2,1H3,(H,12,15)(H3,11,13,14).
What are the key properties of 2-(3-amino-5-thiophen-2-yl-1H-pyrazol-4-yl)-N-methylacetamide?
2-(3-amino-5-thiophen-2-yl-1H-pyrazol-4-yl)-N-methylacetamide has a molecular weight of 236.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-thiophen-2-yl-1H-pyrazol-4-yl)-N-methylacetamide is sourced from PubChem (CID 99992879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).