N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide

C16H20N4O2S — CID 72718695

IUPACN-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCn1nc(-c2ccncc2)cc1C1CC1)C1CC1
InChIInChI=1S/C16H20N4O2S/c21-23(22,14-3-4-14)18-9-10-20-16(13-1-2-13)11-15(19-20)12-5-7-17-8-6-12/h5-8,11,13-14,18H,1-4,9-10H2
InChIKeyRDZCNCIQQZSBOP-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.90
Rot. Bonds7

About N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide

N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide (PubChem CID 72718695) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide
PubChem CID72718695
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCn1nc(-c2ccncc2)cc1C1CC1)C1CC1
InChIInChI=1S/C16H20N4O2S/c21-23(22,14-3-4-14)18-9-10-20-16(13-1-2-13)11-15(19-20)12-5-7-17-8-6-12/h5-8,11,13-14,18H,1-4,9-10H2
InChIKeyRDZCNCIQQZSBOP-UHFFFAOYSA-N
XLogP1.90
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide (CID 72718695) is N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide is O=S(=O)(NCCn1nc(-c2ccncc2)cc1C1CC1)C1CC1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide?
The InChIKey is RDZCNCIQQZSBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-23(22,14-3-4-14)18-9-10-20-16(13-1-2-13)11-15(19-20)12-5-7-17-8-6-12/h5-8,11,13-14,18H,1-4,9-10H2.
What are the key properties of N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide?
N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 72718695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).