[3-amino-5-(4-chlorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C19H18ClN3O4 — CID 175914383

IUPAC[3-amino-5-(4-chlorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)n2nc(N)cc2-c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C19H18ClN3O4/c1-25-15-8-12(9-16(26-2)18(15)27-3)19(24)23-14(10-17(21)22-23)11-4-6-13(20)7-5-11/h4-10H,1-3H3,(H2,21,22)
InChIKeyOMXUUZVDXODGNR-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.50
Rot. Bonds5

About [3-amino-5-(4-chlorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone

[3-amino-5-(4-chlorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 175914383) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is [3-amino-5-(4-chlorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-amino-5-(4-chlorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID175914383
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name[3-amino-5-(4-chlorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)n2nc(N)cc2-c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C19H18ClN3O4/c1-25-15-8-12(9-16(26-2)18(15)27-3)19(24)23-14(10-17(21)22-23)11-4-6-13(20)7-5-11/h4-10H,1-3H3,(H2,21,22)
InChIKeyOMXUUZVDXODGNR-UHFFFAOYSA-N
XLogP3.50
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(4-chlorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [3-amino-5-(4-chlorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 175914383) is [3-amino-5-(4-chlorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [3-amino-5-(4-chlorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [3-amino-5-(4-chlorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)n2nc(N)cc2-c2ccc(Cl)cc2)cc(OC)c1OC.
What is the InChIKey of [3-amino-5-(4-chlorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is OMXUUZVDXODGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-25-15-8-12(9-16(26-2)18(15)27-3)19(24)23-14(10-17(21)22-23)11-4-6-13(20)7-5-11/h4-10H,1-3H3,(H2,21,22).
What are the key properties of [3-amino-5-(4-chlorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[3-amino-5-(4-chlorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 387.82 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(4-chlorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 175914383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).