1-[1-(2-chloro-5-pyrazol-1-ylbenzoyl)piperidin-4-yl]pyrrolidin-2-one

C19H21ClN4O2 — CID 56873134

IUPAC1-[1-(2-chloro-5-pyrazol-1-ylbenzoyl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C(c1cc(-n2cccn2)ccc1Cl)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C19H21ClN4O2/c20-17-5-4-15(24-10-2-8-21-24)13-16(17)19(26)22-11-6-14(7-12-22)23-9-1-3-18(23)25/h2,4-5,8,10,13-14H,1,3,6-7,9,11-12H2
InChIKeyPAXBSMBYBCKTMO-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.75
Rot. Bonds3

About 1-[1-(2-chloro-5-pyrazol-1-ylbenzoyl)piperidin-4-yl]pyrrolidin-2-one

1-[1-(2-chloro-5-pyrazol-1-ylbenzoyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 56873134) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 1-[1-(2-chloro-5-pyrazol-1-ylbenzoyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-chloro-5-pyrazol-1-ylbenzoyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID56873134
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name1-[1-(2-chloro-5-pyrazol-1-ylbenzoyl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C(c1cc(-n2cccn2)ccc1Cl)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C19H21ClN4O2/c20-17-5-4-15(24-10-2-8-21-24)13-16(17)19(26)22-11-6-14(7-12-22)23-9-1-3-18(23)25/h2,4-5,8,10,13-14H,1,3,6-7,9,11-12H2
InChIKeyPAXBSMBYBCKTMO-UHFFFAOYSA-N
XLogP2.75
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-5-pyrazol-1-ylbenzoyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(2-chloro-5-pyrazol-1-ylbenzoyl)piperidin-4-yl]pyrrolidin-2-one (CID 56873134) is 1-[1-(2-chloro-5-pyrazol-1-ylbenzoyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(2-chloro-5-pyrazol-1-ylbenzoyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(2-chloro-5-pyrazol-1-ylbenzoyl)piperidin-4-yl]pyrrolidin-2-one is O=C(c1cc(-n2cccn2)ccc1Cl)N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-[1-(2-chloro-5-pyrazol-1-ylbenzoyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is PAXBSMBYBCKTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-17-5-4-15(24-10-2-8-21-24)13-16(17)19(26)22-11-6-14(7-12-22)23-9-1-3-18(23)25/h2,4-5,8,10,13-14H,1,3,6-7,9,11-12H2.
What are the key properties of 1-[1-(2-chloro-5-pyrazol-1-ylbenzoyl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(2-chloro-5-pyrazol-1-ylbenzoyl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 372.86 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-5-pyrazol-1-ylbenzoyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 56873134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).