tert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate

C19H19FN4O2 — CID 23080651

IUPACtert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C19H19FN4O2/c1-19(2,3)26-18(25)23-16-10-13(8-9-21-16)15-11-22-24-17(15)12-4-6-14(20)7-5-12/h4-11H,1-3H3,(H,22,24)(H,21,23,25)
InChIKeyAUKUTVBHKQCLSZ-UHFFFAOYSA-N
MW354.39 g/mol
LogP4.62
Rot. Bonds3

About tert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate

tert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate (PubChem CID 23080651) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is tert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate
PubChem CID23080651
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Nametert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C19H19FN4O2/c1-19(2,3)26-18(25)23-16-10-13(8-9-21-16)15-11-22-24-17(15)12-4-6-14(20)7-5-12/h4-11H,1-3H3,(H,22,24)(H,21,23,25)
InChIKeyAUKUTVBHKQCLSZ-UHFFFAOYSA-N
XLogP4.62
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate
CID 23080649
tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
CID 173186178
3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]propan-1-ol
CID 22037776
N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
CID 22037392
(2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-1-phenylpropan-2-ol
CID 91090096
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-phenylethenyl)pyridin-2-amine
CID 174586818
tert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate
CID 173234410
2-fluoro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037455
N-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine;morpholine
CID 174409747
[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]methanol
CID 71710905
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 22037335
tert-butyl N-[4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]carbamate
CID 169099891

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate (CID 23080651) is tert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1.
What is the InChIKey of tert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate?
The InChIKey is AUKUTVBHKQCLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-19(2,3)26-18(25)23-16-10-13(8-9-21-16)15-11-22-24-17(15)12-4-6-14(20)7-5-12/h4-11H,1-3H3,(H,22,24)(H,21,23,25).
What are the key properties of tert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate?
tert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate has a molecular weight of 354.39 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 23080651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).