[1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone

C18H22ClN5O — CID 154762709

IUPAC[1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccn(-c2ccccc2Cl)n1)N1CCN(C2CCNC2)CC1
InChIInChI=1S/C18H22ClN5O/c19-15-3-1-2-4-17(15)24-8-6-16(21-24)18(25)23-11-9-22(10-12-23)14-5-7-20-13-14/h1-4,6,8,14,20H,5,7,9-13H2
InChIKeyOHCHULCISNFCFE-UHFFFAOYSA-N
MW359.86 g/mol
LogP1.65
Rot. Bonds3

About [1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone

[1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone (PubChem CID 154762709) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is [1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone
PubChem CID154762709
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC Name[1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccn(-c2ccccc2Cl)n1)N1CCN(C2CCNC2)CC1
InChIInChI=1S/C18H22ClN5O/c19-15-3-1-2-4-17(15)24-8-6-16(21-24)18(25)23-11-9-22(10-12-23)14-5-7-20-13-14/h1-4,6,8,14,20H,5,7,9-13H2
InChIKeyOHCHULCISNFCFE-UHFFFAOYSA-N
XLogP1.65
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone (CID 154762709) is [1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone is O=C(c1ccn(-c2ccccc2Cl)n1)N1CCN(C2CCNC2)CC1.
What is the InChIKey of [1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone?
The InChIKey is OHCHULCISNFCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O/c19-15-3-1-2-4-17(15)24-8-6-16(21-24)18(25)23-11-9-22(10-12-23)14-5-7-20-13-14/h1-4,6,8,14,20H,5,7,9-13H2.
What are the key properties of [1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone?
[1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone has a molecular weight of 359.86 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 154762709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).