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

C13H15BrFN3 — CID 55222776

IUPAC5-(3-bromo-4-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine
SMILESCC(C)(C)Nc1cc(-c2ccc(F)c(Br)c2)[nH]n1
InChIInChI=1S/C13H15BrFN3/c1-13(2,3)16-12-7-11(17-18-12)8-4-5-10(15)9(14)6-8/h4-7H,1-3H3,(H2,16,17,18)
InChIKeyYNNFKTJVPHKECX-UHFFFAOYSA-N
MW312.19 g/mol
LogP4.19
Rot. Bonds2

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

5-(3-bromo-4-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine (PubChem CID 55222776) has the molecular formula C13H15BrFN3 and a molecular weight of 312.19 g/mol. Its IUPAC name is 5-(3-bromo-4-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-4-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine
PubChem CID55222776
Molecular FormulaC13H15BrFN3
Molecular Weight312.19 g/mol
Exact Mass311.04
IUPAC Name5-(3-bromo-4-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine
SMILESCC(C)(C)Nc1cc(-c2ccc(F)c(Br)c2)[nH]n1
InChIInChI=1S/C13H15BrFN3/c1-13(2,3)16-12-7-11(17-18-12)8-4-5-10(15)9(14)6-8/h4-7H,1-3H3,(H2,16,17,18)
InChIKeyYNNFKTJVPHKECX-UHFFFAOYSA-N
XLogP4.19
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Amino-3-(4-bromophenyl)-1H-pyrazole
CID 780878
N-(4-{[3-(3-bromophenyl)-1H-pyrazol-5-yl]amino}phenyl)methanesulfonamide
CID 6539625
N-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-2-sulfanylacetamide
CID 25258281
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]acetamide
CID 1081357
N-methyl-5-phenyl-1H-pyrazol-3-amine
CID 12356179
(Z)-N-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 118731085
N',N'-dimethyl-N-(5-phenyl-1H-pyrazol-3-yl)propane-1,3-diamine
CID 10800355
Enamine_003621
CID 2303645
5-(3-Bromo-phenyl)-2h-pyrazol-3-ylamine
CID 16043668
(5-Methyl-1H-pyrazol-3-yl)-(4-trifluoromethyl-phenyl)-amine
CID 10657722
3-(3-Bromo-4-trifluoromethyl-phenylamino)-5-methyl-1H-pyrazole-4-carbonitrile
CID 10759927
(4,5-Dimethyl-1H-pyrazol-3-yl)-(4-trifluoromethyl-phenyl)-amine
CID 10800984

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-bromo-4-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine (CID 55222776) is 5-(3-bromo-4-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-bromo-4-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-bromo-4-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine is CC(C)(C)Nc1cc(-c2ccc(F)c(Br)c2)[nH]n1.
What is the InChIKey of 5-(3-bromo-4-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine?
The InChIKey is YNNFKTJVPHKECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3/c1-13(2,3)16-12-7-11(17-18-12)8-4-5-10(15)9(14)6-8/h4-7H,1-3H3,(H2,16,17,18).
What are the key properties of 5-(3-bromo-4-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine?
5-(3-bromo-4-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine has a molecular weight of 312.19 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine is sourced from PubChem (CID 55222776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).