N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide

C12H18N4O3S — CID 47268209

IUPACN-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(S(=O)(=O)c2cn[nH]c2)CC1)C1CC1
InChIInChI=1S/C12H18N4O3S/c17-12(9-1-2-9)15-10-3-5-16(6-4-10)20(18,19)11-7-13-14-8-11/h7-10H,1-6H2,(H,13,14)(H,15,17)
InChIKeySSWGPENBKUTPIV-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.09
Rot. Bonds4

About N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide

N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 47268209) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide
PubChem CID47268209
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC NameN-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(S(=O)(=O)c2cn[nH]c2)CC1)C1CC1
InChIInChI=1S/C12H18N4O3S/c17-12(9-1-2-9)15-10-3-5-16(6-4-10)20(18,19)11-7-13-14-8-11/h7-10H,1-6H2,(H,13,14)(H,15,17)
InChIKeySSWGPENBKUTPIV-UHFFFAOYSA-N
XLogP0.09
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide (CID 47268209) is N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide is O=C(NC1CCN(S(=O)(=O)c2cn[nH]c2)CC1)C1CC1.
What is the InChIKey of N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is SSWGPENBKUTPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c17-12(9-1-2-9)15-10-3-5-16(6-4-10)20(18,19)11-7-13-14-8-11/h7-10H,1-6H2,(H,13,14)(H,15,17).
What are the key properties of N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide?
N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 298.37 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 47268209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).