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

C10H17N5O3S — CID 61112042

IUPAC1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C10H17N5O3S/c1-12-10(16)7-4-2-3-5-15(7)19(17,18)8-6-13-14-9(8)11/h6-7H,2-5H2,1H3,(H,12,16)(H3,11,13,14)
InChIKeyDZBIEKLUSKOOCB-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.72
Rot. Bonds3

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

1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-2-carboxamide (PubChem CID 61112042) 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-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-2-carboxamide
PubChem CID61112042
Molecular FormulaC10H17N5O3S
Molecular Weight287.34 g/mol
Exact Mass287.11
IUPAC Name1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C10H17N5O3S/c1-12-10(16)7-4-2-3-5-15(7)19(17,18)8-6-13-14-9(8)11/h6-7H,2-5H2,1H3,(H,12,16)(H3,11,13,14)
InChIKeyDZBIEKLUSKOOCB-UHFFFAOYSA-N
XLogP-0.72
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.72
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-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-2-carboxamide (CID 61112042) is 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is DZBIEKLUSKOOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-12-10(16)7-4-2-3-5-15(7)19(17,18)8-6-13-14-9(8)11/h6-7H,2-5H2,1H3,(H,12,16)(H3,11,13,14).
What are the key properties of 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-2-carboxamide?
1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 287.34 g/mol, XLogP of -0.72, 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-methylpiperidine-2-carboxamide is sourced from PubChem (CID 61112042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).