3-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine

C16H13BrFN3 — CID 83204745

IUPAC3-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine
SMILESNc1cn(Cc2ccc(F)cc2)nc1-c1cccc(Br)c1
InChIInChI=1S/C16H13BrFN3/c17-13-3-1-2-12(8-13)16-15(19)10-21(20-16)9-11-4-6-14(18)7-5-11/h1-8,10H,9,19H2
InChIKeyNGNWQZDJVLBXTI-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.08
Rot. Bonds3

About 3-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine

3-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine (PubChem CID 83204745) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine
PubChem CID83204745
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name3-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine
SMILESNc1cn(Cc2ccc(F)cc2)nc1-c1cccc(Br)c1
InChIInChI=1S/C16H13BrFN3/c17-13-3-1-2-12(8-13)16-15(19)10-21(20-16)9-11-4-6-14(18)7-5-11/h1-8,10H,9,19H2
InChIKeyNGNWQZDJVLBXTI-UHFFFAOYSA-N
XLogP4.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine?
The IUPAC name of 3-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine (CID 83204745) is 3-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 3-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 3-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine is Nc1cn(Cc2ccc(F)cc2)nc1-c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine?
The InChIKey is NGNWQZDJVLBXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c17-13-3-1-2-12(8-13)16-15(19)10-21(20-16)9-11-4-6-14(18)7-5-11/h1-8,10H,9,19H2.
What are the key properties of 3-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine?
3-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine has a molecular weight of 346.20 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 83204745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).