2-chloro-N-[3-chloro-5-fluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]acetamide

C15H12Cl2FN5O — CID 175348038

IUPAC2-chloro-N-[3-chloro-5-fluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]acetamide
SMILESCn1cc(-c2cc(-c3c(F)cc(NC(=O)CCl)cc3Cl)[nH]n2)cn1
InChIInChI=1S/C15H12Cl2FN5O/c1-23-7-8(6-19-23)12-4-13(22-21-12)15-10(17)2-9(3-11(15)18)20-14(24)5-16/h2-4,6-7H,5H2,1H3,(H,20,24)(H,21,22)
InChIKeyIZBGJDBNYYCKST-UHFFFAOYSA-N
MW368.20 g/mol
LogP3.45
Rot. Bonds4

About 2-chloro-N-[3-chloro-5-fluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]acetamide

2-chloro-N-[3-chloro-5-fluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]acetamide (PubChem CID 175348038) has the molecular formula C15H12Cl2FN5O and a molecular weight of 368.20 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-5-fluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-5-fluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]acetamide
PubChem CID175348038
Molecular FormulaC15H12Cl2FN5O
Molecular Weight368.20 g/mol
Exact Mass367.04
IUPAC Name2-chloro-N-[3-chloro-5-fluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]acetamide
SMILESCn1cc(-c2cc(-c3c(F)cc(NC(=O)CCl)cc3Cl)[nH]n2)cn1
InChIInChI=1S/C15H12Cl2FN5O/c1-23-7-8(6-19-23)12-4-13(22-21-12)15-10(17)2-9(3-11(15)18)20-14(24)5-16/h2-4,6-7H,5H2,1H3,(H,20,24)(H,21,22)
InChIKeyIZBGJDBNYYCKST-UHFFFAOYSA-N
XLogP3.45
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.20
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-5-fluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-chloro-5-fluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]acetamide (CID 175348038) is 2-chloro-N-[3-chloro-5-fluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-chloro-5-fluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-chloro-5-fluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]acetamide is Cn1cc(-c2cc(-c3c(F)cc(NC(=O)CCl)cc3Cl)[nH]n2)cn1.
What is the InChIKey of 2-chloro-N-[3-chloro-5-fluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]acetamide?
The InChIKey is IZBGJDBNYYCKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FN5O/c1-23-7-8(6-19-23)12-4-13(22-21-12)15-10(17)2-9(3-11(15)18)20-14(24)5-16/h2-4,6-7H,5H2,1H3,(H,20,24)(H,21,22).
What are the key properties of 2-chloro-N-[3-chloro-5-fluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]acetamide?
2-chloro-N-[3-chloro-5-fluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]acetamide has a molecular weight of 368.20 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-chloro-5-fluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 175348038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).