4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine

C10H8BrF2N3 — CID 117464596

IUPAC4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cc(F)c(F)c(Br)c2)c1N
InChIInChI=1S/C10H8BrF2N3/c1-16-10(14)6(4-15-16)5-2-7(11)9(13)8(12)3-5/h2-4H,14H2,1H3
InChIKeyZCIGOXPIFANYNH-UHFFFAOYSA-N
MW288.10 g/mol
LogP2.71
Rot. Bonds1

About 4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine

4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 117464596) has the molecular formula C10H8BrF2N3 and a molecular weight of 288.10 g/mol. Its IUPAC name is 4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine
PubChem CID117464596
Molecular FormulaC10H8BrF2N3
Molecular Weight288.10 g/mol
Exact Mass286.99
IUPAC Name4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cc(F)c(F)c(Br)c2)c1N
InChIInChI=1S/C10H8BrF2N3/c1-16-10(14)6(4-15-16)5-2-7(11)9(13)8(12)3-5/h2-4H,14H2,1H3
InChIKeyZCIGOXPIFANYNH-UHFFFAOYSA-N
XLogP2.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
CID 117428222
5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol
CID 117319162
4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol
CID 117453163
4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117351877
4-(3-bromo-5-ethyl-2-fluorophenyl)-1-methylpyrazol-5-amine
CID 117479931
4-(7-bromo-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine
CID 117471765
4-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464605
5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-hydroxybenzoic acid
CID 117380458
5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylbenzoic acid
CID 117375453
4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117412665
4-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-methylpyrazol-5-amine
CID 117412217
4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine
CID 117471763

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine (CID 117464596) is 4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine is Cn1ncc(-c2cc(F)c(F)c(Br)c2)c1N.
What is the InChIKey of 4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is ZCIGOXPIFANYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N3/c1-16-10(14)6(4-15-16)5-2-7(11)9(13)8(12)3-5/h2-4H,14H2,1H3.
What are the key properties of 4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine?
4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 288.10 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117464596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).