2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiolane-2-carboxamide

C13H21N3OS — CID 81003927

IUPAC2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiolane-2-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)C1(C)CCCS1
InChIInChI=1S/C13H21N3OS/c1-10-11(9-15-16-10)5-3-7-14-12(17)13(2)6-4-8-18-13/h9H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyJYGRYOZBNUDKAM-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.05
Rot. Bonds5

About 2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiolane-2-carboxamide

2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiolane-2-carboxamide (PubChem CID 81003927) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiolane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiolane-2-carboxamide
PubChem CID81003927
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiolane-2-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)C1(C)CCCS1
InChIInChI=1S/C13H21N3OS/c1-10-11(9-15-16-10)5-3-7-14-12(17)13(2)6-4-8-18-13/h9H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyJYGRYOZBNUDKAM-UHFFFAOYSA-N
XLogP2.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclopentane-1-carboxamide
CID 62038572
3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide
CID 63142468
4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]oxane-4-carboxamide
CID 62038574
N-[2-(1H-imidazol-2-yl)ethyl]-2-methylthiolane-2-carboxamide
CID 115702011
2-cyclopentyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62037988
N-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide
CID 107300160
N-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide
CID 107318890
(3S,4S)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide
CID 114084882
5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide
CID 107374698
3-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 62040744
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide
CID 78924905
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 62038805

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiolane-2-carboxamide?
The IUPAC name of 2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiolane-2-carboxamide (CID 81003927) is 2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiolane-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiolane-2-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiolane-2-carboxamide is Cc1[nH]ncc1CCCNC(=O)C1(C)CCCS1.
What is the InChIKey of 2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiolane-2-carboxamide?
The InChIKey is JYGRYOZBNUDKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10-11(9-15-16-10)5-3-7-14-12(17)13(2)6-4-8-18-13/h9H,3-8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiolane-2-carboxamide?
2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiolane-2-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiolane-2-carboxamide is sourced from PubChem (CID 81003927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).