1-amino-1-(4-chlorophenyl)-3-[5-fluoro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]propan-2-one

C19H17ClFN3O2 — CID 58142647

IUPAC1-amino-1-(4-chlorophenyl)-3-[5-fluoro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]propan-2-one
SMILESCOc1cc(-c2cn[nH]c2)c(F)cc1CC(=O)C(N)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClFN3O2/c1-26-18-8-15(13-9-23-24-10-13)16(21)6-12(18)7-17(25)19(22)11-2-4-14(20)5-3-11/h2-6,8-10,19H,7,22H2,1H3,(H,23,24)
InChIKeyCBPOMNMFCHFPEH-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.69
Rot. Bonds6

About 1-amino-1-(4-chlorophenyl)-3-[5-fluoro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]propan-2-one

1-amino-1-(4-chlorophenyl)-3-[5-fluoro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]propan-2-one (PubChem CID 58142647) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is 1-amino-1-(4-chlorophenyl)-3-[5-fluoro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-amino-1-(4-chlorophenyl)-3-[5-fluoro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]propan-2-one
PubChem CID58142647
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC Name1-amino-1-(4-chlorophenyl)-3-[5-fluoro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]propan-2-one
SMILESCOc1cc(-c2cn[nH]c2)c(F)cc1CC(=O)C(N)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClFN3O2/c1-26-18-8-15(13-9-23-24-10-13)16(21)6-12(18)7-17(25)19(22)11-2-4-14(20)5-3-11/h2-6,8-10,19H,7,22H2,1H3,(H,23,24)
InChIKeyCBPOMNMFCHFPEH-UHFFFAOYSA-N
XLogP3.69
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(4-chlorophenyl)-3-[5-fluoro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]propan-2-one?
The IUPAC name of 1-amino-1-(4-chlorophenyl)-3-[5-fluoro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]propan-2-one (CID 58142647) is 1-amino-1-(4-chlorophenyl)-3-[5-fluoro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-amino-1-(4-chlorophenyl)-3-[5-fluoro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]propan-2-one?
The canonical SMILES for 1-amino-1-(4-chlorophenyl)-3-[5-fluoro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]propan-2-one is COc1cc(-c2cn[nH]c2)c(F)cc1CC(=O)C(N)c1ccc(Cl)cc1.
What is the InChIKey of 1-amino-1-(4-chlorophenyl)-3-[5-fluoro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]propan-2-one?
The InChIKey is CBPOMNMFCHFPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-26-18-8-15(13-9-23-24-10-13)16(21)6-12(18)7-17(25)19(22)11-2-4-14(20)5-3-11/h2-6,8-10,19H,7,22H2,1H3,(H,23,24).
What are the key properties of 1-amino-1-(4-chlorophenyl)-3-[5-fluoro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]propan-2-one?
1-amino-1-(4-chlorophenyl)-3-[5-fluoro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]propan-2-one has a molecular weight of 373.82 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(4-chlorophenyl)-3-[5-fluoro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]propan-2-one is sourced from PubChem (CID 58142647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).