3-(4-bromophenyl)-1-(2-fluoroethyl)pyrazol-5-amine;1,1-difluorocyclopropane

C14H15BrF3N3 — CID 175321442

IUPAC3-(4-bromophenyl)-1-(2-fluoroethyl)pyrazol-5-amine;1,1-difluorocyclopropane
SMILESFC1(F)CC1.Nc1cc(-c2ccc(Br)cc2)nn1CCF
InChIInChI=1S/C11H11BrFN3.C3H4F2/c12-9-3-1-8(2-4-9)10-7-11(14)16(15-10)6-5-13;4-3(5)1-2-3/h1-4,7H,5-6,14H2;1-2H2
InChIKeySJHJOLHWIKWKJY-UHFFFAOYSA-N
MW362.19 g/mol
LogP4.28
Rot. Bonds3

About 3-(4-bromophenyl)-1-(2-fluoroethyl)pyrazol-5-amine;1,1-difluorocyclopropane

3-(4-bromophenyl)-1-(2-fluoroethyl)pyrazol-5-amine;1,1-difluorocyclopropane (PubChem CID 175321442) has the molecular formula C14H15BrF3N3 and a molecular weight of 362.19 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(2-fluoroethyl)pyrazol-5-amine;1,1-difluorocyclopropane.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(2-fluoroethyl)pyrazol-5-amine;1,1-difluorocyclopropane
PubChem CID175321442
Molecular FormulaC14H15BrF3N3
Molecular Weight362.19 g/mol
Exact Mass361.04
IUPAC Name3-(4-bromophenyl)-1-(2-fluoroethyl)pyrazol-5-amine;1,1-difluorocyclopropane
SMILESFC1(F)CC1.Nc1cc(-c2ccc(Br)cc2)nn1CCF
InChIInChI=1S/C11H11BrFN3.C3H4F2/c12-9-3-1-8(2-4-9)10-7-11(14)16(15-10)6-5-13;4-3(5)1-2-3/h1-4,7H,5-6,14H2;1-2H2
InChIKeySJHJOLHWIKWKJY-UHFFFAOYSA-N
XLogP4.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43348875
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[3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine
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3-(3-bromophenyl)-1-propylpyrazol-5-amine
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2-[5-amino-3-(3-bromo-5-fluorophenyl)pyrazol-1-yl]ethanol
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CID 62687876
2-[5-amino-3-(4-bromo-2-methylphenyl)pyrazol-1-yl]ethanol
CID 43629979
3-(4-bromophenyl)-1-(1-cyclopropyl-2,2,2-trifluoroethyl)pyrazol-5-amine
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CID 61265330
2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol
CID 116628785
3-(4-bromophenyl)-1-(oxan-4-yl)pyrazol-5-amine
CID 151356653
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CID 43542754

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(2-fluoroethyl)pyrazol-5-amine;1,1-difluorocyclopropane?
The IUPAC name of 3-(4-bromophenyl)-1-(2-fluoroethyl)pyrazol-5-amine;1,1-difluorocyclopropane (CID 175321442) is 3-(4-bromophenyl)-1-(2-fluoroethyl)pyrazol-5-amine;1,1-difluorocyclopropane.
What is the SMILES notation for 3-(4-bromophenyl)-1-(2-fluoroethyl)pyrazol-5-amine;1,1-difluorocyclopropane?
The canonical SMILES for 3-(4-bromophenyl)-1-(2-fluoroethyl)pyrazol-5-amine;1,1-difluorocyclopropane is FC1(F)CC1.Nc1cc(-c2ccc(Br)cc2)nn1CCF.
What is the InChIKey of 3-(4-bromophenyl)-1-(2-fluoroethyl)pyrazol-5-amine;1,1-difluorocyclopropane?
The InChIKey is SJHJOLHWIKWKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3.C3H4F2/c12-9-3-1-8(2-4-9)10-7-11(14)16(15-10)6-5-13;4-3(5)1-2-3/h1-4,7H,5-6,14H2;1-2H2.
What are the key properties of 3-(4-bromophenyl)-1-(2-fluoroethyl)pyrazol-5-amine;1,1-difluorocyclopropane?
3-(4-bromophenyl)-1-(2-fluoroethyl)pyrazol-5-amine;1,1-difluorocyclopropane has a molecular weight of 362.19 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(2-fluoroethyl)pyrazol-5-amine;1,1-difluorocyclopropane is sourced from PubChem (CID 175321442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).