3-[4-[5-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazol-3-yl]pyridine

C27H21N5O — CID 2875997

IUPAC3-[4-[5-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazol-3-yl]pyridine
SMILESc1ccc(N2N=C(c3ccco3)CC2c2cn(-c3ccccc3)nc2-c2cccnc2)cc1
InChIInChI=1S/C27H21N5O/c1-3-10-21(11-4-1)31-19-23(27(30-31)20-9-7-15-28-18-20)25-17-24(26-14-8-16-33-26)29-32(25)22-12-5-2-6-13-22/h1-16,18-19,25H,17H2
InChIKeySNSKPFLFCFUDOX-UHFFFAOYSA-N
MW431.50 g/mol
LogP5.88
Rot. Bonds5

About 3-[4-[5-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazol-3-yl]pyridine

3-[4-[5-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazol-3-yl]pyridine (PubChem CID 2875997) has the molecular formula C27H21N5O and a molecular weight of 431.50 g/mol. Its IUPAC name is 3-[4-[5-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazol-3-yl]pyridine.

Molecular Properties

Compound Name3-[4-[5-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazol-3-yl]pyridine
PubChem CID2875997
Molecular FormulaC27H21N5O
Molecular Weight431.50 g/mol
Exact Mass431.17
IUPAC Name3-[4-[5-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazol-3-yl]pyridine
SMILESc1ccc(N2N=C(c3ccco3)CC2c2cn(-c3ccccc3)nc2-c2cccnc2)cc1
InChIInChI=1S/C27H21N5O/c1-3-10-21(11-4-1)31-19-23(27(30-31)20-9-7-15-28-18-20)25-17-24(26-14-8-16-33-26)29-32(25)22-12-5-2-6-13-22/h1-16,18-19,25H,17H2
InChIKeySNSKPFLFCFUDOX-UHFFFAOYSA-N
XLogP5.88
TPSA59.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazol-3-yl]pyridine?
The IUPAC name of 3-[4-[5-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazol-3-yl]pyridine (CID 2875997) is 3-[4-[5-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazol-3-yl]pyridine.
What is the SMILES notation for 3-[4-[5-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazol-3-yl]pyridine?
The canonical SMILES for 3-[4-[5-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazol-3-yl]pyridine is c1ccc(N2N=C(c3ccco3)CC2c2cn(-c3ccccc3)nc2-c2cccnc2)cc1.
What is the InChIKey of 3-[4-[5-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazol-3-yl]pyridine?
The InChIKey is SNSKPFLFCFUDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O/c1-3-10-21(11-4-1)31-19-23(27(30-31)20-9-7-15-28-18-20)25-17-24(26-14-8-16-33-26)29-32(25)22-12-5-2-6-13-22/h1-16,18-19,25H,17H2.
What are the key properties of 3-[4-[5-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazol-3-yl]pyridine?
3-[4-[5-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazol-3-yl]pyridine has a molecular weight of 431.50 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazol-3-yl]pyridine is sourced from PubChem (CID 2875997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).