tert-butyl N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamate

C15H19FN4O2 — CID 146398960

IUPACtert-butyl N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C15H19FN4O2/c1-10(19-14(21)22-15(2,3)4)11-5-6-13(17-7-11)20-9-12(16)8-18-20/h5-10H,1-4H3,(H,19,21)/t10-/m0/s1
InChIKeyQEABYGIXPJHSPE-JTQLQIEISA-N
MW306.34 g/mol
LogP2.99
Rot. Bonds3

About tert-butyl N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamate

tert-butyl N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamate (PubChem CID 146398960) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamate
PubChem CID146398960
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Nametert-butyl N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C15H19FN4O2/c1-10(19-14(21)22-15(2,3)4)11-5-6-13(17-7-11)20-9-12(16)8-18-20/h5-10H,1-4H3,(H,19,21)/t10-/m0/s1
InChIKeyQEABYGIXPJHSPE-JTQLQIEISA-N
XLogP2.99
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide
CID 142278872
tert-butyl 4-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethylsulfanyl]piperidine-1-carboxylate
CID 175149518
tert-butyl N-[1-(4-fluorophenyl)ethyl]carbamate
CID 63787964
ethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine
CID 145307256
1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride
CID 146157882
tert-butyl N-[(1S)-1-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]ethyl]carbamate
CID 170765544
3-[(2-chloroacetyl)amino]-3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethylcarbamoyl]azetidine-1-carboxylic acid
CID 175040696
tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate
CID 63787966
tert-butyl 3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-methyl-4-(oxomethylidene)-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 146635746
tert-butyl N-[(1S)-1-(6-bromo-3-pyridinyl)ethyl]carbamate;tert-butyl N-[(1S)-1-(6-formyl-3-pyridinyl)ethyl]carbamate
CID 157141202
tert-butyl N-[(1S)-1-(4-chlorophenyl)ethyl]carbamate
CID 81353770
tert-butyl N-[(1R)-1-(4-bromophenyl)ethyl]carbamate
CID 52987808

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamate (CID 146398960) is tert-butyl N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)c1ccc(-n2cc(F)cn2)nc1.
What is the InChIKey of tert-butyl N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamate?
The InChIKey is QEABYGIXPJHSPE-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-10(19-14(21)22-15(2,3)4)11-5-6-13(17-7-11)20-9-12(16)8-18-20/h5-10H,1-4H3,(H,19,21)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamate?
tert-butyl N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamate has a molecular weight of 306.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamate is sourced from PubChem (CID 146398960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).