1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide

C10H15N3OS — CID 146126965

IUPAC1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCC2CCSC2)n1
InChIInChI=1S/C10H15N3OS/c1-13-4-2-9(12-13)10(14)11-6-8-3-5-15-7-8/h2,4,8H,3,5-7H2,1H3,(H,11,14)
InChIKeyJGQOKSXUUWIXNS-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.90
Rot. Bonds3

About 1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide

1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 146126965) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID146126965
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCC2CCSC2)n1
InChIInChI=1S/C10H15N3OS/c1-13-4-2-9(12-13)10(14)11-6-8-3-5-15-7-8/h2,4,8H,3,5-7H2,1H3,(H,11,14)
InChIKeyJGQOKSXUUWIXNS-UHFFFAOYSA-N
XLogP0.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103122655
1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea
CID 124885479
1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide
CID 103117492
4-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296392
N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide
CID 103117884
5-(thiolan-3-ylmethylcarbamoyl)furan-2-carboxylic acid
CID 107297808
5-hydroxy-N-(thiolan-3-ylmethyl)pyridine-3-carboxamide
CID 107296482
2-(cyclopropylmethylamino)-1-(1-methylpyrazol-3-yl)ethanone
CID 103133024
1-methyl-N-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)pyrazole-3-carboxamide
CID 146135514
2-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296385
2-bromo-N-(thiolan-3-ylmethyl)benzamide
CID 107296407
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 95749571

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide (CID 146126965) is 1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide is Cn1ccc(C(=O)NCC2CCSC2)n1.
What is the InChIKey of 1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is JGQOKSXUUWIXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-13-4-2-9(12-13)10(14)11-6-8-3-5-15-7-8/h2,4,8H,3,5-7H2,1H3,(H,11,14).
What are the key properties of 1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide?
1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 225.32 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 146126965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).