5-amino-3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazole-4-carbonitrile

C15H12BrF3N4 — CID 129247872

IUPAC5-amino-3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)cc2)nn(C(C2CC2)C(F)(F)F)c1N
InChIInChI=1S/C15H12BrF3N4/c16-10-5-3-8(4-6-10)12-11(7-20)14(21)23(22-12)13(9-1-2-9)15(17,18)19/h3-6,9,13H,1-2,21H2
InChIKeyPDLRSOQGMKPREF-UHFFFAOYSA-N
MW385.19 g/mol
LogP4.28
Rot. Bonds3

About 5-amino-3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazole-4-carbonitrile

5-amino-3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazole-4-carbonitrile (PubChem CID 129247872) has the molecular formula C15H12BrF3N4 and a molecular weight of 385.19 g/mol. Its IUPAC name is 5-amino-3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazole-4-carbonitrile
PubChem CID129247872
Molecular FormulaC15H12BrF3N4
Molecular Weight385.19 g/mol
Exact Mass384.02
IUPAC Name5-amino-3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)cc2)nn(C(C2CC2)C(F)(F)F)c1N
InChIInChI=1S/C15H12BrF3N4/c16-10-5-3-8(4-6-10)12-11(7-20)14(21)23(22-12)13(9-1-2-9)15(17,18)19/h3-6,9,13H,1-2,21H2
InChIKeyPDLRSOQGMKPREF-UHFFFAOYSA-N
XLogP4.28
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.19
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzyl-5-(4-bromophenyl)pyrazol-3-amine
CID 693933
3-(4-Bromophenyl)-1-methyl-1H-pyrazol-5-amine
CID 5337859
3-(4-bromophenyl)-1,4-dimethyl-1H-pyrazol-5-amine
CID 43158772
5-Amino-3-(4-bromophenyl)-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carbonitrile
CID 129248048
5-amino-3-[2-(4-bromophenyl)-1-cyanovinyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
CID 5285005
4-(4-bromophenyl)-2,5-dimethyl-2,3-dihydro-1H-pyrazol-3-imine hydrochloride
CID 50988501
5-Amino-3-(4-bromophenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
CID 101894903
5-Amino-1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpyrazole-4-carbonitrile
CID 71857475
5-Amino-3-(4-fluorophenyl)-1-methylpyrazole-4-carbonitrile
CID 22309840
4-[5-Amino-4-(3,3-difluorocyclobutyl)-1-propan-2-ylpyrazol-3-yl]benzonitrile
CID 59504885
5-Amino-3,4-dicyano-1-(2-fluorobenzyl)pyrazole
CID 68425300
5-Amino-3-(4-bromo-2-fluorophenyl)-1-(oxan-4-yl)pyrazole-4-carbonitrile
CID 90075618

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazole-4-carbonitrile (CID 129247872) is 5-amino-3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazole-4-carbonitrile is N#Cc1c(-c2ccc(Br)cc2)nn(C(C2CC2)C(F)(F)F)c1N.
What is the InChIKey of 5-amino-3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazole-4-carbonitrile?
The InChIKey is PDLRSOQGMKPREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3N4/c16-10-5-3-8(4-6-10)12-11(7-20)14(21)23(22-12)13(9-1-2-9)15(17,18)19/h3-6,9,13H,1-2,21H2.
What are the key properties of 5-amino-3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazole-4-carbonitrile?
5-amino-3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazole-4-carbonitrile has a molecular weight of 385.19 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 129247872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).