1-tert-butyl-5-(2-fluorophenyl)pyrazol-3-amine

C13H16FN3 — CID 105492854

IUPAC1-tert-butyl-5-(2-fluorophenyl)pyrazol-3-amine
SMILESCC(C)(C)n1nc(N)cc1-c1ccccc1F
InChIInChI=1S/C13H16FN3/c1-13(2,3)17-11(8-12(15)16-17)9-6-4-5-7-10(9)14/h4-8H,1-3H3,(H2,15,16)
InChIKeyJADMUXNDSCOUKP-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.03
Rot. Bonds1

About 1-tert-butyl-5-(2-fluorophenyl)pyrazol-3-amine

1-tert-butyl-5-(2-fluorophenyl)pyrazol-3-amine (PubChem CID 105492854) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-tert-butyl-5-(2-fluorophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-tert-butyl-5-(2-fluorophenyl)pyrazol-3-amine
PubChem CID105492854
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-tert-butyl-5-(2-fluorophenyl)pyrazol-3-amine
SMILESCC(C)(C)n1nc(N)cc1-c1ccccc1F
InChIInChI=1S/C13H16FN3/c1-13(2,3)17-11(8-12(15)16-17)9-6-4-5-7-10(9)14/h4-8H,1-3H3,(H2,15,16)
InChIKeyJADMUXNDSCOUKP-UHFFFAOYSA-N
XLogP3.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-ethyl-5-(2-fluorophenyl)pyrazol-3-yl]ethanamine
CID 105492850
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CID 62268890
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2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 105485346
4-(2-fluorophenyl)-1-methylbenzimidazol-2-amine
CID 152511992
5-(2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine
CID 62017942
[5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 82072742
1-[(2-fluorophenoxy)methyl]-5-methylpyrazol-3-amine
CID 19618418
2,6-difluoro-4-(2-fluorophenyl)aniline
CID 46314357
5-(2-fluorophenyl)-3-propan-2-ylimidazol-4-amine
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2-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 83864315

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-(2-fluorophenyl)pyrazol-3-amine?
The IUPAC name of 1-tert-butyl-5-(2-fluorophenyl)pyrazol-3-amine (CID 105492854) is 1-tert-butyl-5-(2-fluorophenyl)pyrazol-3-amine.
What is the SMILES notation for 1-tert-butyl-5-(2-fluorophenyl)pyrazol-3-amine?
The canonical SMILES for 1-tert-butyl-5-(2-fluorophenyl)pyrazol-3-amine is CC(C)(C)n1nc(N)cc1-c1ccccc1F.
What is the InChIKey of 1-tert-butyl-5-(2-fluorophenyl)pyrazol-3-amine?
The InChIKey is JADMUXNDSCOUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-13(2,3)17-11(8-12(15)16-17)9-6-4-5-7-10(9)14/h4-8H,1-3H3,(H2,15,16).
What are the key properties of 1-tert-butyl-5-(2-fluorophenyl)pyrazol-3-amine?
1-tert-butyl-5-(2-fluorophenyl)pyrazol-3-amine has a molecular weight of 233.29 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-(2-fluorophenyl)pyrazol-3-amine is sourced from PubChem (CID 105492854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).