4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-amine

C14H9Cl2FN4 — CID 104785975

IUPAC4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cncc(F)c2)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2FN4/c15-10-2-1-7(4-11(10)16)12-13(20-21-14(12)18)8-3-9(17)6-19-5-8/h1-6H,(H3,18,20,21)
InChIKeyNRHZHRYZKTYDNV-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.17
Rot. Bonds2

About 4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-amine

4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-amine (PubChem CID 104785975) has the molecular formula C14H9Cl2FN4 and a molecular weight of 323.16 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-amine
PubChem CID104785975
Molecular FormulaC14H9Cl2FN4
Molecular Weight323.16 g/mol
Exact Mass322.02
IUPAC Name4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cncc(F)c2)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2FN4/c15-10-2-1-7(4-11(10)16)12-13(20-21-14(12)18)8-3-9(17)6-19-5-8/h1-6H,(H3,18,20,21)
InChIKeyNRHZHRYZKTYDNV-UHFFFAOYSA-N
XLogP4.17
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-amine (CID 104785975) is 4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2cncc(F)c2)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-amine?
The InChIKey is NRHZHRYZKTYDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN4/c15-10-2-1-7(4-11(10)16)12-13(20-21-14(12)18)8-3-9(17)6-19-5-8/h1-6H,(H3,18,20,21).
What are the key properties of 4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-amine?
4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-amine has a molecular weight of 323.16 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 104785975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).