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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Related Compounds

5-Ethenylsulfonyl-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 122181356
2-[2-(1-Methylpyrazol-4-yl)sulfonyl-4-phenyl-3,4-dihydropyrazol-5-yl]pyridine
CID 118937507
US10370375, Example 24
CID 118402778
N-({1-[(5-Ethylpyridin-2-YL)methyl]pyrrolidin-3-YL}methyl)cyclopropanesulfonamide
CID 56758604
1-(3-fluorophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide
CID 71790796
2-fluoro-N-((1-methyl-5-(pyridin-4-yl)-1H-pyrazol-3-yl)methyl)benzenesulfonamide
CID 71797534
1-(2,5-difluorophenyl)-N-((1-methyl-5-(pyridin-2-yl)-1H-pyrazol-3-yl)methyl)methanesulfonamide
CID 71797661
N-(2-(3-(pyridin-4-yl)-1H-pyrazol-1-yl)ethyl)cyclopropanesulfonamide
CID 71807860
N-(2-(3-(pyridin-4-yl)-1H-pyrazol-1-yl)ethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 71807876
N-{2-[3-(pyridin-2-yl)-1H-pyrazol-1-yl]ethyl}cyclopropanesulfonamide
CID 71807961
N-(2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)ethyl)cyclohexanesulfonamide
CID 71807963
1-(2,5-difluorophenyl)-N-{2-[3-(pyridin-2-yl)-1H-pyrazol-1-yl]ethyl}methanesulfonamide
CID 71807978

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).