5-tert-butyl-N-(4-fluorophenyl)-1H-pyrazol-3-amine

C13H16FN3 — CID 68993437

IUPAC5-tert-butyl-N-(4-fluorophenyl)-1H-pyrazol-3-amine
SMILESCC(C)(C)c1cc(Nc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C13H16FN3/c1-13(2,3)11-8-12(17-16-11)15-10-6-4-9(14)5-7-10/h4-8H,1-3H3,(H2,15,16,17)
InChIKeyCREQNNVGQBOMIG-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.59
Rot. Bonds2

About 5-tert-butyl-N-(4-fluorophenyl)-1H-pyrazol-3-amine

5-tert-butyl-N-(4-fluorophenyl)-1H-pyrazol-3-amine (PubChem CID 68993437) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-tert-butyl-N-(4-fluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(4-fluorophenyl)-1H-pyrazol-3-amine
PubChem CID68993437
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name5-tert-butyl-N-(4-fluorophenyl)-1H-pyrazol-3-amine
SMILESCC(C)(C)c1cc(Nc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C13H16FN3/c1-13(2,3)11-8-12(17-16-11)15-10-6-4-9(14)5-7-10/h4-8H,1-3H3,(H2,15,16,17)
InChIKeyCREQNNVGQBOMIG-UHFFFAOYSA-N
XLogP3.59
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 91050851
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide
CID 115589865
[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol
CID 23536033
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3726599
N-(4-fluorophenyl)-5-(2-methylphenyl)-1H-pyrazol-3-amine
CID 139405800
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 10657722
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide
CID 115603601
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
CID 104620496
4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[4-(pyridin-3-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 10111548
4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877864
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine
CID 87338226
4-N-tert-butyl-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112875932

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(4-fluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-tert-butyl-N-(4-fluorophenyl)-1H-pyrazol-3-amine (CID 68993437) is 5-tert-butyl-N-(4-fluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-tert-butyl-N-(4-fluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-tert-butyl-N-(4-fluorophenyl)-1H-pyrazol-3-amine is CC(C)(C)c1cc(Nc2ccc(F)cc2)n[nH]1.
What is the InChIKey of 5-tert-butyl-N-(4-fluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is CREQNNVGQBOMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-13(2,3)11-8-12(17-16-11)15-10-6-4-9(14)5-7-10/h4-8H,1-3H3,(H2,15,16,17).
What are the key properties of 5-tert-butyl-N-(4-fluorophenyl)-1H-pyrazol-3-amine?
5-tert-butyl-N-(4-fluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 233.29 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(4-fluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 68993437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).