2-methyl-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-3-methylsulfanylpropanamide

C12H21N3OS — CID 84583974

IUPAC2-methyl-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)Nc1cc(CC(C)C)[nH]n1
InChIInChI=1S/C12H21N3OS/c1-8(2)5-10-6-11(15-14-10)13-12(16)9(3)7-17-4/h6,8-9H,5,7H2,1-4H3,(H2,13,14,15,16)
InChIKeyMGHUXBQRCRWMJM-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.55
Rot. Bonds6

About 2-methyl-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-3-methylsulfanylpropanamide

2-methyl-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-3-methylsulfanylpropanamide (PubChem CID 84583974) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-methyl-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-3-methylsulfanylpropanamide
PubChem CID84583974
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-methyl-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)Nc1cc(CC(C)C)[nH]n1
InChIInChI=1S/C12H21N3OS/c1-8(2)5-10-6-11(15-14-10)13-12(16)9(3)7-17-4/h6,8-9H,5,7H2,1-4H3,(H2,13,14,15,16)
InChIKeyMGHUXBQRCRWMJM-UHFFFAOYSA-N
XLogP2.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-3-methylsulfanylpropanamide?
The IUPAC name of 2-methyl-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-3-methylsulfanylpropanamide (CID 84583974) is 2-methyl-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-3-methylsulfanylpropanamide.
What is the SMILES notation for 2-methyl-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-3-methylsulfanylpropanamide?
The canonical SMILES for 2-methyl-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-3-methylsulfanylpropanamide is CSCC(C)C(=O)Nc1cc(CC(C)C)[nH]n1.
What is the InChIKey of 2-methyl-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-3-methylsulfanylpropanamide?
The InChIKey is MGHUXBQRCRWMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8(2)5-10-6-11(15-14-10)13-12(16)9(3)7-17-4/h6,8-9H,5,7H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 2-methyl-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-3-methylsulfanylpropanamide?
2-methyl-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-3-methylsulfanylpropanamide has a molecular weight of 255.39 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 84583974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).