N-(5-chloro-2-hydroxyphenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide

C13H12ClF2N3O2 — CID 19516487

IUPACN-(5-chloro-2-hydroxyphenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
SMILESCc1cc(C(F)F)n(CC(=O)Nc2cc(Cl)ccc2O)n1
InChIInChI=1S/C13H12ClF2N3O2/c1-7-4-10(13(15)16)19(18-7)6-12(21)17-9-5-8(14)2-3-11(9)20/h2-5,13,20H,6H2,1H3,(H,17,21)
InChIKeyMYDPRMPXNYSIKI-UHFFFAOYSA-N
MW315.71 g/mol
LogP3.13
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide

N-(5-chloro-2-hydroxyphenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide (PubChem CID 19516487) has the molecular formula C13H12ClF2N3O2 and a molecular weight of 315.71 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
PubChem CID19516487
Molecular FormulaC13H12ClF2N3O2
Molecular Weight315.71 g/mol
Exact Mass315.06
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
SMILESCc1cc(C(F)F)n(CC(=O)Nc2cc(Cl)ccc2O)n1
InChIInChI=1S/C13H12ClF2N3O2/c1-7-4-10(13(15)16)19(18-7)6-12(21)17-9-5-8(14)2-3-11(9)20/h2-5,13,20H,6H2,1H3,(H,17,21)
InChIKeyMYDPRMPXNYSIKI-UHFFFAOYSA-N
XLogP3.13
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.71
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide (CID 19516487) is N-(5-chloro-2-hydroxyphenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide is Cc1cc(C(F)F)n(CC(=O)Nc2cc(Cl)ccc2O)n1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide?
The InChIKey is MYDPRMPXNYSIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N3O2/c1-7-4-10(13(15)16)19(18-7)6-12(21)17-9-5-8(14)2-3-11(9)20/h2-5,13,20H,6H2,1H3,(H,17,21).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide?
N-(5-chloro-2-hydroxyphenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide has a molecular weight of 315.71 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide is sourced from PubChem (CID 19516487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).