2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-ylacetamide

C11H14N4OS — CID 106212701

IUPAC2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(NC(=O)C(N)c1cccs1)c1cn[nH]c1
InChIInChI=1S/C11H14N4OS/c1-7(8-5-13-14-6-8)15-11(16)10(12)9-3-2-4-17-9/h2-7,10H,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyLIPCHGWNJYWFFB-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.35
Rot. Bonds4

About 2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-ylacetamide

2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 106212701) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID106212701
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(NC(=O)C(N)c1cccs1)c1cn[nH]c1
InChIInChI=1S/C11H14N4OS/c1-7(8-5-13-14-6-8)15-11(16)10(12)9-3-2-4-17-9/h2-7,10H,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyLIPCHGWNJYWFFB-UHFFFAOYSA-N
XLogP1.35
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212809
3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212688
2-amino-N-(1,1-dimethoxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115287355
2-amino-N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115286053
2-amino-N-[1-(3-nitrophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 115286471
2-(carbamoylamino)-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 103857035
3-chloro-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106211094
(2S)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3-methylbutanoic acid
CID 115286900
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103855895
2-cyano-2-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106213471
2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106212825
N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide
CID 103856618

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-ylacetamide (CID 106212701) is 2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-ylacetamide is CC(NC(=O)C(N)c1cccs1)c1cn[nH]c1.
What is the InChIKey of 2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is LIPCHGWNJYWFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-7(8-5-13-14-6-8)15-11(16)10(12)9-3-2-4-17-9/h2-7,10H,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-ylacetamide?
2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 250.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 106212701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).