N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]cyclopropanesulfonamide

C11H17N3O2S — CID 164634159

IUPACN-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]cyclopropanesulfonamide
SMILESC[C@@H](C1CC1)n1cc(NS(=O)(=O)C2CC2)cn1
InChIInChI=1S/C11H17N3O2S/c1-8(9-2-3-9)14-7-10(6-12-14)13-17(15,16)11-4-5-11/h6-9,11,13H,2-5H2,1H3/t8-/m0/s1
InChIKeyMDFDPYNHQGBKMZ-QMMMGPOBSA-N
MW255.34 g/mol
LogP1.76
Rot. Bonds5

About N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]cyclopropanesulfonamide

N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]cyclopropanesulfonamide (PubChem CID 164634159) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]cyclopropanesulfonamide
PubChem CID164634159
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]cyclopropanesulfonamide
SMILESC[C@@H](C1CC1)n1cc(NS(=O)(=O)C2CC2)cn1
InChIInChI=1S/C11H17N3O2S/c1-8(9-2-3-9)14-7-10(6-12-14)13-17(15,16)11-4-5-11/h6-9,11,13H,2-5H2,1H3/t8-/m0/s1
InChIKeyMDFDPYNHQGBKMZ-QMMMGPOBSA-N
XLogP1.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]cyclopropanesulfonamide (CID 164634159) is N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]cyclopropanesulfonamide is C[C@@H](C1CC1)n1cc(NS(=O)(=O)C2CC2)cn1.
What is the InChIKey of N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]cyclopropanesulfonamide?
The InChIKey is MDFDPYNHQGBKMZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8(9-2-3-9)14-7-10(6-12-14)13-17(15,16)11-4-5-11/h6-9,11,13H,2-5H2,1H3/t8-/m0/s1.
What are the key properties of N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]cyclopropanesulfonamide?
N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]cyclopropanesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 164634159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).