1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide

C10H17N5O3S — CID 60809287

IUPAC1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C10H17N5O3S/c1-14(2)10(16)7-4-3-5-15(7)19(17,18)8-6-12-13-9(8)11/h6-7H,3-5H2,1-2H3,(H3,11,12,13)
InChIKeySDPSVZKUCHOISB-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.77
Rot. Bonds3

About 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 60809287) has the molecular formula C10H17N5O3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID60809287
Molecular FormulaC10H17N5O3S
Molecular Weight287.34 g/mol
Exact Mass287.11
IUPAC Name1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C10H17N5O3S/c1-14(2)10(16)7-4-3-5-15(7)19(17,18)8-6-12-13-9(8)11/h6-7H,3-5H2,1-2H3,(H3,11,12,13)
InChIKeySDPSVZKUCHOISB-UHFFFAOYSA-N
XLogP-0.77
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 60809287) is 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is SDPSVZKUCHOISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-14(2)10(16)7-4-3-5-15(7)19(17,18)8-6-12-13-9(8)11/h6-7H,3-5H2,1-2H3,(H3,11,12,13).
What are the key properties of 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 287.34 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 60809287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).