tert-butyl N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]carbamate

C13H14ClFN4O2 — CID 90359788

IUPACtert-butyl N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cn(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C13H14ClFN4O2/c1-13(2,3)21-12(20)17-10-7-19(18-11(10)14)9-4-8(15)5-16-6-9/h4-7H,1-3H3,(H,17,20)
InChIKeyUOMIJGGZBDGCQV-UHFFFAOYSA-N
MW312.73 g/mol
LogP3.41
Rot. Bonds2

About tert-butyl N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]carbamate

tert-butyl N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]carbamate (PubChem CID 90359788) has the molecular formula C13H14ClFN4O2 and a molecular weight of 312.73 g/mol. Its IUPAC name is tert-butyl N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]carbamate
PubChem CID90359788
Molecular FormulaC13H14ClFN4O2
Molecular Weight312.73 g/mol
Exact Mass312.08
IUPAC Nametert-butyl N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cn(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C13H14ClFN4O2/c1-13(2,3)21-12(20)17-10-7-19(18-11(10)14)9-4-8(15)5-16-6-9/h4-7H,1-3H3,(H,17,20)
InChIKeyUOMIJGGZBDGCQV-UHFFFAOYSA-N
XLogP3.41
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.73
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine
CID 67499763
tert-butyl N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate
CID 122456834
[[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]amino]-[(2-methylpropan-2-yl)oxy]methanol
CID 129156253
tert-butyl N-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-N-methylcarbamate
CID 86700644
tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate
CID 131118705
3-(3-chloro-4-nitropyrazol-1-yl)-5-fluoropyridine
CID 67500211
tert-butyl N-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbamate;tert-butyl N-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]carbamate
CID 159776807
tert-butyl N-methyl-N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate;tert-butyl N-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)carbamate
CID 161477057
tert-butyl N-(2-bromo-5-chloro-4-fluorophenyl)carbamate
CID 69110389
tert-butyl 2-[1-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]ethyl]pent-4-enoate
CID 123571686
tert-butyl N-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]carbamate
CID 90215384
methyl N-(2-chloro-5-fluoro-3-pyridinyl)carbamate
CID 86694123

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]carbamate (CID 90359788) is tert-butyl N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]carbamate is CC(C)(C)OC(=O)Nc1cn(-c2cncc(F)c2)nc1Cl.
What is the InChIKey of tert-butyl N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]carbamate?
The InChIKey is UOMIJGGZBDGCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O2/c1-13(2,3)21-12(20)17-10-7-19(18-11(10)14)9-4-8(15)5-16-6-9/h4-7H,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]carbamate?
tert-butyl N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]carbamate has a molecular weight of 312.73 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 90359788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).