N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(5-chlorothiophen-2-yl)propanamide

C12H13ClN4O2S — CID 75376897

IUPACN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(5-chlorothiophen-2-yl)propanamide
SMILESCC(C(=O)Nc1cnn(CC(N)=O)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H13ClN4O2S/c1-7(9-2-3-10(13)20-9)12(19)16-8-4-15-17(5-8)6-11(14)18/h2-5,7H,6H2,1H3,(H2,14,18)(H,16,19)
InChIKeyOEMRPMDWODGYQS-UHFFFAOYSA-N
MW312.78 g/mol
LogP1.83
Rot. Bonds5

About N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(5-chlorothiophen-2-yl)propanamide

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(5-chlorothiophen-2-yl)propanamide (PubChem CID 75376897) has the molecular formula C12H13ClN4O2S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(5-chlorothiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(5-chlorothiophen-2-yl)propanamide
PubChem CID75376897
Molecular FormulaC12H13ClN4O2S
Molecular Weight312.78 g/mol
Exact Mass312.04
IUPAC NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(5-chlorothiophen-2-yl)propanamide
SMILESCC(C(=O)Nc1cnn(CC(N)=O)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H13ClN4O2S/c1-7(9-2-3-10(13)20-9)12(19)16-8-4-15-17(5-8)6-11(14)18/h2-5,7H,6H2,1H3,(H2,14,18)(H,16,19)
InChIKeyOEMRPMDWODGYQS-UHFFFAOYSA-N
XLogP1.83
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
CID 107903728
5-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylpentanamide
CID 104683948
6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide
CID 65290605
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2,5-dichlorothiophene-3-carboxamide
CID 146122700
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide
CID 43705849
N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119405790
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 43705851
2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide
CID 43783563
4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide
CID 43705831
(2S)-2-(5-chlorothiophen-2-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide
CID 97221772
2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide
CID 95132885
(2R)-2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
CID 97088649

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(5-chlorothiophen-2-yl)propanamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(5-chlorothiophen-2-yl)propanamide (CID 75376897) is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(5-chlorothiophen-2-yl)propanamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(5-chlorothiophen-2-yl)propanamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(5-chlorothiophen-2-yl)propanamide is CC(C(=O)Nc1cnn(CC(N)=O)c1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(5-chlorothiophen-2-yl)propanamide?
The InChIKey is OEMRPMDWODGYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2S/c1-7(9-2-3-10(13)20-9)12(19)16-8-4-15-17(5-8)6-11(14)18/h2-5,7H,6H2,1H3,(H2,14,18)(H,16,19).
What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(5-chlorothiophen-2-yl)propanamide?
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(5-chlorothiophen-2-yl)propanamide has a molecular weight of 312.78 g/mol, XLogP of 1.83, 5 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]-2-(5-chlorothiophen-2-yl)propanamide is sourced from PubChem (CID 75376897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).