N-tert-butyl-5-(2,6-difluorophenyl)-1H-pyrazol-3-amine

C13H15F2N3 — CID 63049032

IUPACN-tert-butyl-5-(2,6-difluorophenyl)-1H-pyrazol-3-amine
SMILESCC(C)(C)Nc1cc(-c2c(F)cccc2F)[nH]n1
InChIInChI=1S/C13H15F2N3/c1-13(2,3)16-11-7-10(17-18-11)12-8(14)5-4-6-9(12)15/h4-7H,1-3H3,(H2,16,17,18)
InChIKeyBYJYFTCKWVFCGS-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.57
Rot. Bonds2

About N-tert-butyl-5-(2,6-difluorophenyl)-1H-pyrazol-3-amine

N-tert-butyl-5-(2,6-difluorophenyl)-1H-pyrazol-3-amine (PubChem CID 63049032) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-tert-butyl-5-(2,6-difluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(2,6-difluorophenyl)-1H-pyrazol-3-amine
PubChem CID63049032
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-tert-butyl-5-(2,6-difluorophenyl)-1H-pyrazol-3-amine
SMILESCC(C)(C)Nc1cc(-c2c(F)cccc2F)[nH]n1
InChIInChI=1S/C13H15F2N3/c1-13(2,3)16-11-7-10(17-18-11)12-8(14)5-4-6-9(12)15/h4-7H,1-3H3,(H2,16,17,18)
InChIKeyBYJYFTCKWVFCGS-UHFFFAOYSA-N
XLogP3.57
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2,6-difluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of N-tert-butyl-5-(2,6-difluorophenyl)-1H-pyrazol-3-amine (CID 63049032) is N-tert-butyl-5-(2,6-difluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-tert-butyl-5-(2,6-difluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for N-tert-butyl-5-(2,6-difluorophenyl)-1H-pyrazol-3-amine is CC(C)(C)Nc1cc(-c2c(F)cccc2F)[nH]n1.
What is the InChIKey of N-tert-butyl-5-(2,6-difluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is BYJYFTCKWVFCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-13(2,3)16-11-7-10(17-18-11)12-8(14)5-4-6-9(12)15/h4-7H,1-3H3,(H2,16,17,18).
What are the key properties of N-tert-butyl-5-(2,6-difluorophenyl)-1H-pyrazol-3-amine?
N-tert-butyl-5-(2,6-difluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 251.28 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2,6-difluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63049032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).