formic acid;1-[4-(furan-2-yl)phenyl]-4-(1H-pyrazol-5-ylmethyl)piperazine

C19H22N4O3 — CID 172895482

IUPACformic acid;1-[4-(furan-2-yl)phenyl]-4-(1H-pyrazol-5-ylmethyl)piperazine
SMILESO=CO.c1coc(-c2ccc(N3CCN(Cc4ccn[nH]4)CC3)cc2)c1
InChIInChI=1S/C18H20N4O.CH2O2/c1-2-18(23-13-1)15-3-5-17(6-4-15)22-11-9-21(10-12-22)14-16-7-8-19-20-16;2-1-3/h1-8,13H,9-12,14H2,(H,19,20);1H,(H,2,3)
InChIKeyYXVYQKQRRSYXGH-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.69
Rot. Bonds4

About formic acid;1-[4-(furan-2-yl)phenyl]-4-(1H-pyrazol-5-ylmethyl)piperazine

formic acid;1-[4-(furan-2-yl)phenyl]-4-(1H-pyrazol-5-ylmethyl)piperazine (PubChem CID 172895482) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is formic acid;1-[4-(furan-2-yl)phenyl]-4-(1H-pyrazol-5-ylmethyl)piperazine.

Molecular Properties

Compound Nameformic acid;1-[4-(furan-2-yl)phenyl]-4-(1H-pyrazol-5-ylmethyl)piperazine
PubChem CID172895482
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Nameformic acid;1-[4-(furan-2-yl)phenyl]-4-(1H-pyrazol-5-ylmethyl)piperazine
SMILESO=CO.c1coc(-c2ccc(N3CCN(Cc4ccn[nH]4)CC3)cc2)c1
InChIInChI=1S/C18H20N4O.CH2O2/c1-2-18(23-13-1)15-3-5-17(6-4-15)22-11-9-21(10-12-22)14-16-7-8-19-20-16;2-1-3/h1-8,13H,9-12,14H2,(H,19,20);1H,(H,2,3)
InChIKeyYXVYQKQRRSYXGH-UHFFFAOYSA-N
XLogP2.69
TPSA85.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;1-[4-(furan-2-yl)phenyl]-4-(1H-pyrazol-5-ylmethyl)piperazine?
The IUPAC name of formic acid;1-[4-(furan-2-yl)phenyl]-4-(1H-pyrazol-5-ylmethyl)piperazine (CID 172895482) is formic acid;1-[4-(furan-2-yl)phenyl]-4-(1H-pyrazol-5-ylmethyl)piperazine.
What is the SMILES notation for formic acid;1-[4-(furan-2-yl)phenyl]-4-(1H-pyrazol-5-ylmethyl)piperazine?
The canonical SMILES for formic acid;1-[4-(furan-2-yl)phenyl]-4-(1H-pyrazol-5-ylmethyl)piperazine is O=CO.c1coc(-c2ccc(N3CCN(Cc4ccn[nH]4)CC3)cc2)c1.
What is the InChIKey of formic acid;1-[4-(furan-2-yl)phenyl]-4-(1H-pyrazol-5-ylmethyl)piperazine?
The InChIKey is YXVYQKQRRSYXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O.CH2O2/c1-2-18(23-13-1)15-3-5-17(6-4-15)22-11-9-21(10-12-22)14-16-7-8-19-20-16;2-1-3/h1-8,13H,9-12,14H2,(H,19,20);1H,(H,2,3).
What are the key properties of formic acid;1-[4-(furan-2-yl)phenyl]-4-(1H-pyrazol-5-ylmethyl)piperazine?
formic acid;1-[4-(furan-2-yl)phenyl]-4-(1H-pyrazol-5-ylmethyl)piperazine has a molecular weight of 354.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-[4-(furan-2-yl)phenyl]-4-(1H-pyrazol-5-ylmethyl)piperazine is sourced from PubChem (CID 172895482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).