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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Related Compounds

2-amino-N-[2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 70797024
CID 88978617
CID 88978617
4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole
CID 90292619
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118663007
2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 11197714
3-amino-1-(4-chlorophenyl)-1-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
CID 15603477
N-[(3,4-difluorophenyl)methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 85470509
2-amino-2-(4-chlorophenyl)-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]acetamide
CID 89091069
4-(2-methoxy-4-methylphenyl)-1H-pyrazole
CID 137381850
(3S)-3-(4-chlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 69129226
1-(5-chloro-2-methoxyphenyl)-3,4-dimethylpentan-2-one
CID 114968584
2-[[2-amino-2-(4-chlorophenyl)acetyl]amino]-N,N-dimethyl-5-(1H-pyrazol-4-yl)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 117075666

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).