(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylpropanamide

C12H15N3OS — CID 99809710

IUPAC(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylpropanamide
SMILESCc1[nH]ncc1CNC(=O)[C@@H](C)c1cccs1
InChIInChI=1S/C12H15N3OS/c1-8(11-4-3-5-17-11)12(16)13-6-10-7-14-15-9(10)2/h3-5,7-8H,6H2,1-2H3,(H,13,16)(H,14,15)/t8-/m0/s1
InChIKeyQYUFKBCEZQEMAI-QMMMGPOBSA-N
MW249.34 g/mol
LogP2.20
Rot. Bonds4

About (2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylpropanamide

(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylpropanamide (PubChem CID 99809710) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is (2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylpropanamide
PubChem CID99809710
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylpropanamide
SMILESCc1[nH]ncc1CNC(=O)[C@@H](C)c1cccs1
InChIInChI=1S/C12H15N3OS/c1-8(11-4-3-5-17-11)12(16)13-6-10-7-14-15-9(10)2/h3-5,7-8H,6H2,1-2H3,(H,13,16)(H,14,15)/t8-/m0/s1
InChIKeyQYUFKBCEZQEMAI-QMMMGPOBSA-N
XLogP2.20
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylpropanamide?
The IUPAC name of (2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylpropanamide (CID 99809710) is (2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylpropanamide.
What is the SMILES notation for (2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylpropanamide?
The canonical SMILES for (2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylpropanamide is Cc1[nH]ncc1CNC(=O)[C@@H](C)c1cccs1.
What is the InChIKey of (2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylpropanamide?
The InChIKey is QYUFKBCEZQEMAI-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8(11-4-3-5-17-11)12(16)13-6-10-7-14-15-9(10)2/h3-5,7-8H,6H2,1-2H3,(H,13,16)(H,14,15)/t8-/m0/s1.
What are the key properties of (2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylpropanamide?
(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylpropanamide has a molecular weight of 249.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 99809710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).