N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide

C12H14ClN3OS — CID 134048451

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)N(C)Cc1ccc(Cl)s1)n1cccn1
InChIInChI=1S/C12H14ClN3OS/c1-9(16-7-3-6-14-16)12(17)15(2)8-10-4-5-11(13)18-10/h3-7,9H,8H2,1-2H3
InChIKeyFRHXHJDTTNANKM-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.82
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide (PubChem CID 134048451) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide
PubChem CID134048451
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)N(C)Cc1ccc(Cl)s1)n1cccn1
InChIInChI=1S/C12H14ClN3OS/c1-9(16-7-3-6-14-16)12(17)15(2)8-10-4-5-11(13)18-10/h3-7,9H,8H2,1-2H3
InChIKeyFRHXHJDTTNANKM-UHFFFAOYSA-N
XLogP2.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 94199388
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide
CID 61439956
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 79013221
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide
CID 54869576
N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 79196449
N-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 78792347
3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid
CID 60988614
N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide
CID 130639217
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81083115
1-[(5-chlorothiophen-2-yl)methyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]-1-methylurea
CID 94122893

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide (CID 134048451) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide is CC(C(=O)N(C)Cc1ccc(Cl)s1)n1cccn1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The InChIKey is FRHXHJDTTNANKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-9(16-7-3-6-14-16)12(17)15(2)8-10-4-5-11(13)18-10/h3-7,9H,8H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide has a molecular weight of 283.78 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 134048451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).