[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl N-tert-butylcarbamate

C14H17FN4O2 — CID 166792998

IUPAC[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1cnccc1-n1cc(F)cn1
InChIInChI=1S/C14H17FN4O2/c1-14(2,3)18-13(20)21-9-10-6-16-5-4-12(10)19-8-11(15)7-17-19/h4-8H,9H2,1-3H3,(H,18,20)
InChIKeyKVOFIMBTUPQLRW-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.43
Rot. Bonds3

About [4-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl N-tert-butylcarbamate

[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl N-tert-butylcarbamate (PubChem CID 166792998) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is [4-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl N-tert-butylcarbamate
PubChem CID166792998
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1cnccc1-n1cc(F)cn1
InChIInChI=1S/C14H17FN4O2/c1-14(2,3)18-13(20)21-9-10-6-16-5-4-12(10)19-8-11(15)7-17-19/h4-8H,9H2,1-3H3,(H,18,20)
InChIKeyKVOFIMBTUPQLRW-UHFFFAOYSA-N
XLogP2.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl N-tert-butylcarbamate?
The IUPAC name of [4-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl N-tert-butylcarbamate (CID 166792998) is [4-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl N-tert-butylcarbamate.
What is the SMILES notation for [4-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl N-tert-butylcarbamate?
The canonical SMILES for [4-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCc1cnccc1-n1cc(F)cn1.
What is the InChIKey of [4-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl N-tert-butylcarbamate?
The InChIKey is KVOFIMBTUPQLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-14(2,3)18-13(20)21-9-10-6-16-5-4-12(10)19-8-11(15)7-17-19/h4-8H,9H2,1-3H3,(H,18,20).
What are the key properties of [4-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl N-tert-butylcarbamate?
[4-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl N-tert-butylcarbamate has a molecular weight of 292.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 166792998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).