N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,6-difluorobenzamide

C19H17F2N3OS — CID 72718622

IUPACN-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,6-difluorobenzamide
SMILESO=C(NCCn1nc(-c2cccs2)cc1C1CC1)c1c(F)cccc1F
InChIInChI=1S/C19H17F2N3OS/c20-13-3-1-4-14(21)18(13)19(25)22-8-9-24-16(12-6-7-12)11-15(23-24)17-5-2-10-26-17/h1-5,10-12H,6-9H2,(H,22,25)
InChIKeyWEBUTTQSXPKAFG-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.20
Rot. Bonds6

About N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,6-difluorobenzamide

N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,6-difluorobenzamide (PubChem CID 72718622) has the molecular formula C19H17F2N3OS and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,6-difluorobenzamide
PubChem CID72718622
Molecular FormulaC19H17F2N3OS
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,6-difluorobenzamide
SMILESO=C(NCCn1nc(-c2cccs2)cc1C1CC1)c1c(F)cccc1F
InChIInChI=1S/C19H17F2N3OS/c20-13-3-1-4-14(21)18(13)19(25)22-8-9-24-16(12-6-7-12)11-15(23-24)17-5-2-10-26-17/h1-5,10-12H,6-9H2,(H,22,25)
InChIKeyWEBUTTQSXPKAFG-UHFFFAOYSA-N
XLogP4.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole scaffold, 7d
CID 24893962
Pyrazole scaffold, 7b
CID 25218474
Pyrazole scaffold, 7c
CID 25218475
(S)-1-(5-((2-aminopropanamido)methyl)thiophen-2-yl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 25218479
Pyrazole scaffold, 10b
CID 25218478
5-(1-(2-(benzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10246779
N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide
CID 66857424
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)thiophen-3-yl]pyrazole-3-carboxamide
CID 129226880
N-{2-[butyl(methyl)amino]ethyl}-3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 20857612
N-(3-methoxypropyl)-4-[5-(thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzamide
CID 1741764
N-(1-methoxypropan-2-yl)-4-[5-(thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzamide
CID 11835476
N-[2-(dipropylamino)ethyl]-3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 16020312

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,6-difluorobenzamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,6-difluorobenzamide (CID 72718622) is N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,6-difluorobenzamide is O=C(NCCn1nc(-c2cccs2)cc1C1CC1)c1c(F)cccc1F.
What is the InChIKey of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,6-difluorobenzamide?
The InChIKey is WEBUTTQSXPKAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3OS/c20-13-3-1-4-14(21)18(13)19(25)22-8-9-24-16(12-6-7-12)11-15(23-24)17-5-2-10-26-17/h1-5,10-12H,6-9H2,(H,22,25).
What are the key properties of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,6-difluorobenzamide?
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,6-difluorobenzamide has a molecular weight of 373.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,6-difluorobenzamide is sourced from PubChem (CID 72718622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).