[2-[4-(2-aminoethyl)-1-methylpyrazol-3-yl]-5-chlorophenyl]-(2-fluorophenyl)methanone

C19H17ClFN3O — CID 54140907

IUPAC[2-[4-(2-aminoethyl)-1-methylpyrazol-3-yl]-5-chlorophenyl]-(2-fluorophenyl)methanone
SMILESCn1cc(CCN)c(-c2ccc(Cl)cc2C(=O)c2ccccc2F)n1
InChIInChI=1S/C19H17ClFN3O/c1-24-11-12(8-9-22)18(23-24)14-7-6-13(20)10-16(14)19(25)15-4-2-3-5-17(15)21/h2-7,10-11H,8-9,22H2,1H3
InChIKeyOBABNDVTCOBYQE-UHFFFAOYSA-N
MW357.82 g/mol
LogP3.61
Rot. Bonds5

About [2-[4-(2-aminoethyl)-1-methylpyrazol-3-yl]-5-chlorophenyl]-(2-fluorophenyl)methanone

[2-[4-(2-aminoethyl)-1-methylpyrazol-3-yl]-5-chlorophenyl]-(2-fluorophenyl)methanone (PubChem CID 54140907) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is [2-[4-(2-aminoethyl)-1-methylpyrazol-3-yl]-5-chlorophenyl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-[4-(2-aminoethyl)-1-methylpyrazol-3-yl]-5-chlorophenyl]-(2-fluorophenyl)methanone
PubChem CID54140907
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC Name[2-[4-(2-aminoethyl)-1-methylpyrazol-3-yl]-5-chlorophenyl]-(2-fluorophenyl)methanone
SMILESCn1cc(CCN)c(-c2ccc(Cl)cc2C(=O)c2ccccc2F)n1
InChIInChI=1S/C19H17ClFN3O/c1-24-11-12(8-9-22)18(23-24)14-7-6-13(20)10-16(14)19(25)15-4-2-3-5-17(15)21/h2-7,10-11H,8-9,22H2,1H3
InChIKeyOBABNDVTCOBYQE-UHFFFAOYSA-N
XLogP3.61
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-aminoethyl)-1-methylpyrazol-3-yl]-5-chlorophenyl]-(2-fluorophenyl)methanone?
The IUPAC name of [2-[4-(2-aminoethyl)-1-methylpyrazol-3-yl]-5-chlorophenyl]-(2-fluorophenyl)methanone (CID 54140907) is [2-[4-(2-aminoethyl)-1-methylpyrazol-3-yl]-5-chlorophenyl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [2-[4-(2-aminoethyl)-1-methylpyrazol-3-yl]-5-chlorophenyl]-(2-fluorophenyl)methanone?
The canonical SMILES for [2-[4-(2-aminoethyl)-1-methylpyrazol-3-yl]-5-chlorophenyl]-(2-fluorophenyl)methanone is Cn1cc(CCN)c(-c2ccc(Cl)cc2C(=O)c2ccccc2F)n1.
What is the InChIKey of [2-[4-(2-aminoethyl)-1-methylpyrazol-3-yl]-5-chlorophenyl]-(2-fluorophenyl)methanone?
The InChIKey is OBABNDVTCOBYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c1-24-11-12(8-9-22)18(23-24)14-7-6-13(20)10-16(14)19(25)15-4-2-3-5-17(15)21/h2-7,10-11H,8-9,22H2,1H3.
What are the key properties of [2-[4-(2-aminoethyl)-1-methylpyrazol-3-yl]-5-chlorophenyl]-(2-fluorophenyl)methanone?
[2-[4-(2-aminoethyl)-1-methylpyrazol-3-yl]-5-chlorophenyl]-(2-fluorophenyl)methanone has a molecular weight of 357.82 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-aminoethyl)-1-methylpyrazol-3-yl]-5-chlorophenyl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 54140907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).