4-(3-bromophenyl)-5-(2-chloro-3-fluorophenyl)-1H-pyrazol-3-amine

C15H10BrClFN3 — CID 81454272

IUPAC4-(3-bromophenyl)-5-(2-chloro-3-fluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cccc(F)c2Cl)c1-c1cccc(Br)c1
InChIInChI=1S/C15H10BrClFN3/c16-9-4-1-3-8(7-9)12-14(20-21-15(12)19)10-5-2-6-11(18)13(10)17/h1-7H,(H3,19,20,21)
InChIKeyKNCBIWVCVZRPEO-UHFFFAOYSA-N
MW366.62 g/mol
LogP4.88
Rot. Bonds2

About 4-(3-bromophenyl)-5-(2-chloro-3-fluorophenyl)-1H-pyrazol-3-amine

4-(3-bromophenyl)-5-(2-chloro-3-fluorophenyl)-1H-pyrazol-3-amine (PubChem CID 81454272) has the molecular formula C15H10BrClFN3 and a molecular weight of 366.62 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-(2-chloro-3-fluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-(2-chloro-3-fluorophenyl)-1H-pyrazol-3-amine
PubChem CID81454272
Molecular FormulaC15H10BrClFN3
Molecular Weight366.62 g/mol
Exact Mass364.97
IUPAC Name4-(3-bromophenyl)-5-(2-chloro-3-fluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cccc(F)c2Cl)c1-c1cccc(Br)c1
InChIInChI=1S/C15H10BrClFN3/c16-9-4-1-3-8(7-9)12-14(20-21-15(12)19)10-5-2-6-11(18)13(10)17/h1-7H,(H3,19,20,21)
InChIKeyKNCBIWVCVZRPEO-UHFFFAOYSA-N
XLogP4.88
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.62
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-(2-chloro-3-fluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-bromophenyl)-5-(2-chloro-3-fluorophenyl)-1H-pyrazol-3-amine (CID 81454272) is 4-(3-bromophenyl)-5-(2-chloro-3-fluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-bromophenyl)-5-(2-chloro-3-fluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-bromophenyl)-5-(2-chloro-3-fluorophenyl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2cccc(F)c2Cl)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-5-(2-chloro-3-fluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is KNCBIWVCVZRPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFN3/c16-9-4-1-3-8(7-9)12-14(20-21-15(12)19)10-5-2-6-11(18)13(10)17/h1-7H,(H3,19,20,21).
What are the key properties of 4-(3-bromophenyl)-5-(2-chloro-3-fluorophenyl)-1H-pyrazol-3-amine?
4-(3-bromophenyl)-5-(2-chloro-3-fluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 366.62 g/mol, XLogP of 4.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-5-(2-chloro-3-fluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 81454272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).