[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate

C17H18ClN3O3 — CID 7838551

IUPAC[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate
SMILESO=C(COC(=O)c1cccc(Cl)c1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C17H18ClN3O3/c18-13-5-3-4-12(10-13)17(23)24-11-16(22)20-15-8-9-19-21(15)14-6-1-2-7-14/h3-5,8-10,14H,1-2,6-7,11H2,(H,20,22)
InChIKeyBLHJYYJBSPRCDT-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.45
Rot. Bonds5

About [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate (PubChem CID 7838551) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate.

Molecular Properties

Compound Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate
PubChem CID7838551
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate
SMILESO=C(COC(=O)c1cccc(Cl)c1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C17H18ClN3O3/c18-13-5-3-4-12(10-13)17(23)24-11-16(22)20-15-8-9-19-21(15)14-6-1-2-7-14/h3-5,8-10,14H,1-2,6-7,11H2,(H,20,22)
InChIKeyBLHJYYJBSPRCDT-UHFFFAOYSA-N
XLogP3.45
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate?
The IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate (CID 7838551) is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate.
What is the SMILES notation for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate?
The canonical SMILES for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate is O=C(COC(=O)c1cccc(Cl)c1)Nc1ccnn1C1CCCC1.
What is the InChIKey of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate?
The InChIKey is BLHJYYJBSPRCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c18-13-5-3-4-12(10-13)17(23)24-11-16(22)20-15-8-9-19-21(15)14-6-1-2-7-14/h3-5,8-10,14H,1-2,6-7,11H2,(H,20,22).
What are the key properties of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate?
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate has a molecular weight of 347.80 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate is sourced from PubChem (CID 7838551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).