(5-amino-1-phenylpyrazol-4-yl)-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone

C24H20N6O2 — CID 24965369

IUPAC(5-amino-1-phenylpyrazol-4-yl)-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESNc1c(C(=O)N2N=C(c3cccnc3)CC2c2ccccc2O)cnn1-c1ccccc1
InChIInChI=1S/C24H20N6O2/c25-23-19(15-27-29(23)17-8-2-1-3-9-17)24(32)30-21(18-10-4-5-11-22(18)31)13-20(28-30)16-7-6-12-26-14-16/h1-12,14-15,21,31H,13,25H2
InChIKeyMFTKSKUXYDQBCA-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.55
Rot. Bonds4

About (5-amino-1-phenylpyrazol-4-yl)-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone

(5-amino-1-phenylpyrazol-4-yl)-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 24965369) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is (5-amino-1-phenylpyrazol-4-yl)-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name(5-amino-1-phenylpyrazol-4-yl)-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID24965369
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC Name(5-amino-1-phenylpyrazol-4-yl)-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESNc1c(C(=O)N2N=C(c3cccnc3)CC2c2ccccc2O)cnn1-c1ccccc1
InChIInChI=1S/C24H20N6O2/c25-23-19(15-27-29(23)17-8-2-1-3-9-17)24(32)30-21(18-10-4-5-11-22(18)31)13-20(28-30)16-7-6-12-26-14-16/h1-12,14-15,21,31H,13,25H2
InChIKeyMFTKSKUXYDQBCA-UHFFFAOYSA-N
XLogP3.55
TPSA109.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1-phenylpyrazol-4-yl)-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of (5-amino-1-phenylpyrazol-4-yl)-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone (CID 24965369) is (5-amino-1-phenylpyrazol-4-yl)-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for (5-amino-1-phenylpyrazol-4-yl)-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for (5-amino-1-phenylpyrazol-4-yl)-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone is Nc1c(C(=O)N2N=C(c3cccnc3)CC2c2ccccc2O)cnn1-c1ccccc1.
What is the InChIKey of (5-amino-1-phenylpyrazol-4-yl)-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is MFTKSKUXYDQBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c25-23-19(15-27-29(23)17-8-2-1-3-9-17)24(32)30-21(18-10-4-5-11-22(18)31)13-20(28-30)16-7-6-12-26-14-16/h1-12,14-15,21,31H,13,25H2.
What are the key properties of (5-amino-1-phenylpyrazol-4-yl)-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone?
(5-amino-1-phenylpyrazol-4-yl)-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 424.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-phenylpyrazol-4-yl)-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 24965369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).