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

C9H15N5O3S — CID 54978424

IUPAC1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H15N5O3S/c1-11-9(15)6-3-2-4-14(6)18(16,17)7-5-12-13-8(7)10/h5-6H,2-4H2,1H3,(H,11,15)(H3,10,12,13)
InChIKeyUYUZPPMSLSUTIG-UHFFFAOYSA-N
MW273.32 g/mol
LogP-1.11
Rot. Bonds3

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

1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 54978424) has the molecular formula C9H15N5O3S and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID54978424
Molecular FormulaC9H15N5O3S
Molecular Weight273.32 g/mol
Exact Mass273.09
IUPAC Name1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H15N5O3S/c1-11-9(15)6-3-2-4-14(6)18(16,17)7-5-12-13-8(7)10/h5-6H,2-4H2,1H3,(H,11,15)(H3,10,12,13)
InChIKeyUYUZPPMSLSUTIG-UHFFFAOYSA-N
XLogP-1.11
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
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-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide (CID 54978424) is 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is UYUZPPMSLSUTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S/c1-11-9(15)6-3-2-4-14(6)18(16,17)7-5-12-13-8(7)10/h5-6H,2-4H2,1H3,(H,11,15)(H3,10,12,13).
What are the key properties of 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide?
1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 273.32 g/mol, XLogP of -1.11, 3 rotatable bonds, 3 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-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54978424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).