[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl] N-tert-butylcarbamate

C21H23FN4O2 — CID 174683593

IUPAC[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl] N-tert-butylcarbamate
SMILESCCn1cc(-c2ccncc2)c(-c2cccc(OC(=O)NC(C)(C)C)c2F)n1
InChIInChI=1S/C21H23FN4O2/c1-5-26-13-16(14-9-11-23-12-10-14)19(25-26)15-7-6-8-17(18(15)22)28-20(27)24-21(2,3)4/h6-13H,5H2,1-4H3,(H,24,27)
InChIKeyBTFGYPSYKIYACZ-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.66
Rot. Bonds4

About [3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl] N-tert-butylcarbamate

[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl] N-tert-butylcarbamate (PubChem CID 174683593) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is [3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl] N-tert-butylcarbamate
PubChem CID174683593
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl] N-tert-butylcarbamate
SMILESCCn1cc(-c2ccncc2)c(-c2cccc(OC(=O)NC(C)(C)C)c2F)n1
InChIInChI=1S/C21H23FN4O2/c1-5-26-13-16(14-9-11-23-12-10-14)19(25-26)15-7-6-8-17(18(15)22)28-20(27)24-21(2,3)4/h6-13H,5H2,1-4H3,(H,24,27)
InChIKeyBTFGYPSYKIYACZ-UHFFFAOYSA-N
XLogP4.66
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
CID 44622212
(2,5-difluorophenyl)sulfonyl-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylphenyl]carbamic acid
CID 71071039
methyl 2-[N-(2,5-difluorophenyl)sulfonyl-3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylanilino]benzoate
CID 53341073
N-[2-(aminomethyl)-3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]-N-(2,5-difluorophenyl)sulfonylacetamide
CID 174772905
N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
CID 56653051
N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
CID 44622209
tert-butyl N-[3-(4-bromo-1-ethylpyrazol-3-yl)-2-fluorophenyl]carbamate
CID 66729611
1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;sulfur dioxide
CID 161462862
(2,5-difluorophenyl)sulfonyl-[2-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-4-fluorophenyl]carbamic acid
CID 71071930
4-[3-[2-(2,5-difluorophenyl)sulfonyl-6-methylphenyl]-1-ethylpyrazol-4-yl]pyridine
CID 71071040
[N-(2,5-difluorophenyl)sulfonyl-3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-methylanilino]methyl 2-(dimethylamino)acetate
CID 121408326
methyl N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylcarbamate
CID 67377814

Frequently Asked Questions

What is the IUPAC name of [3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl] N-tert-butylcarbamate?
The IUPAC name of [3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl] N-tert-butylcarbamate (CID 174683593) is [3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl] N-tert-butylcarbamate.
What is the SMILES notation for [3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl] N-tert-butylcarbamate?
The canonical SMILES for [3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl] N-tert-butylcarbamate is CCn1cc(-c2ccncc2)c(-c2cccc(OC(=O)NC(C)(C)C)c2F)n1.
What is the InChIKey of [3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl] N-tert-butylcarbamate?
The InChIKey is BTFGYPSYKIYACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-5-26-13-16(14-9-11-23-12-10-14)19(25-26)15-7-6-8-17(18(15)22)28-20(27)24-21(2,3)4/h6-13H,5H2,1-4H3,(H,24,27).
What are the key properties of [3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl] N-tert-butylcarbamate?
[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl] N-tert-butylcarbamate has a molecular weight of 382.44 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl] N-tert-butylcarbamate is sourced from PubChem (CID 174683593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).