N-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide

C12H15N3OS — CID 47163720

IUPACN-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide
SMILESCc1ccsc1CNC(=O)C(C)n1cccn1
InChIInChI=1S/C12H15N3OS/c1-9-4-7-17-11(9)8-13-12(16)10(2)15-6-3-5-14-15/h3-7,10H,8H2,1-2H3,(H,13,16)
InChIKeyCCPVDMOSTXWBJG-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.13
Rot. Bonds4

About N-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide

N-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide (PubChem CID 47163720) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide
PubChem CID47163720
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide
SMILESCc1ccsc1CNC(=O)C(C)n1cccn1
InChIInChI=1S/C12H15N3OS/c1-9-4-7-17-11(9)8-13-12(16)10(2)15-6-3-5-14-15/h3-7,10H,8H2,1-2H3,(H,13,16)
InChIKeyCCPVDMOSTXWBJG-UHFFFAOYSA-N
XLogP2.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94206368
(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 94036213
(2S)-N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 97119973
N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 72862860
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115588265
(2R)-2-pyrazol-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 35503683
N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50956025
2-[(3-methylthiophen-2-yl)methylcarbamoyl]butanoic acid
CID 115186004
N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156281
(2R)-2-pyrazol-1-yl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 35699099
(2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 33264815
(2R)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide
CID 95906882

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide (CID 47163720) is N-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide is Cc1ccsc1CNC(=O)C(C)n1cccn1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is CCPVDMOSTXWBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-9-4-7-17-11(9)8-13-12(16)10(2)15-6-3-5-14-15/h3-7,10H,8H2,1-2H3,(H,13,16).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide?
N-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 249.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 47163720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).