[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone

C15H19ClN4O2 — CID 56820359

IUPAC[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(Cn3cc(Cl)cn3)CC2)c(C)o1
InChIInChI=1S/C15H19ClN4O2/c1-11-7-14(12(2)22-11)15(21)19-5-3-18(4-6-19)10-20-9-13(16)8-17-20/h7-9H,3-6,10H2,1-2H3
InChIKeyOBQRQKVCTAZGGZ-UHFFFAOYSA-N
MW322.80 g/mol
LogP2.16
Rot. Bonds3

About [4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone

[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 56820359) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is [4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
PubChem CID56820359
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(Cn3cc(Cl)cn3)CC2)c(C)o1
InChIInChI=1S/C15H19ClN4O2/c1-11-7-14(12(2)22-11)15(21)19-5-3-18(4-6-19)10-20-9-13(16)8-17-20/h7-9H,3-6,10H2,1-2H3
InChIKeyOBQRQKVCTAZGGZ-UHFFFAOYSA-N
XLogP2.16
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of [4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone (CID 56820359) is [4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for [4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for [4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)N2CCN(Cn3cc(Cl)cn3)CC2)c(C)o1.
What is the InChIKey of [4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is OBQRQKVCTAZGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-11-7-14(12(2)22-11)15(21)19-5-3-18(4-6-19)10-20-9-13(16)8-17-20/h7-9H,3-6,10H2,1-2H3.
What are the key properties of [4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 322.80 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 56820359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).