1-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide

C10H16N4O3S — CID 60977067

IUPAC1-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)NCc1ccn[nH]1
InChIInChI=1S/C10H16N4O3S/c1-18(16,17)14-6-2-3-9(14)10(15)11-7-8-4-5-12-13-8/h4-5,9H,2-3,6-7H2,1H3,(H,11,15)(H,12,13)
InChIKeyUQEFBJXGRRJSNQ-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.55
Rot. Bonds4

About 1-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide

1-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 60977067) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID60977067
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name1-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)NCc1ccn[nH]1
InChIInChI=1S/C10H16N4O3S/c1-18(16,17)14-6-2-3-9(14)10(15)11-7-8-4-5-12-13-8/h4-5,9H,2-3,6-7H2,1H3,(H,11,15)(H,12,13)
InChIKeyUQEFBJXGRRJSNQ-UHFFFAOYSA-N
XLogP-0.55
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide (CID 60977067) is 1-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide is CS(=O)(=O)N1CCCC1C(=O)NCc1ccn[nH]1.
What is the InChIKey of 1-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is UQEFBJXGRRJSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-18(16,17)14-6-2-3-9(14)10(15)11-7-8-4-5-12-13-8/h4-5,9H,2-3,6-7H2,1H3,(H,11,15)(H,12,13).
What are the key properties of 1-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide?
1-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 60977067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).