1-[4-[5-(cyclopropylmethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

C26H21FN6O2 — CID 58577711

IUPAC1-[4-[5-(cyclopropylmethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESO=c1ccn(-c2ccc(-n3nccc3OCC3CC3)cc2F)nc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C26H21FN6O2/c27-21-16-20(33-25(11-14-29-33)35-17-18-6-7-18)8-9-22(21)31-15-12-24(34)26(30-31)23-10-13-28-32(23)19-4-2-1-3-5-19/h1-5,8-16,18H,6-7,17H2
InChIKeyRXHNCTXZTSAZHT-UHFFFAOYSA-N
MW468.49 g/mol
LogP4.20
Rot. Bonds7

About 1-[4-[5-(cyclopropylmethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

1-[4-[5-(cyclopropylmethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (PubChem CID 58577711) has the molecular formula C26H21FN6O2 and a molecular weight of 468.49 g/mol. Its IUPAC name is 1-[4-[5-(cyclopropylmethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-[4-[5-(cyclopropylmethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
PubChem CID58577711
Molecular FormulaC26H21FN6O2
Molecular Weight468.49 g/mol
Exact Mass468.17
IUPAC Name1-[4-[5-(cyclopropylmethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESO=c1ccn(-c2ccc(-n3nccc3OCC3CC3)cc2F)nc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C26H21FN6O2/c27-21-16-20(33-25(11-14-29-33)35-17-18-6-7-18)8-9-22(21)31-15-12-24(34)26(30-31)23-10-13-28-32(23)19-4-2-1-3-5-19/h1-5,8-16,18H,6-7,17H2
InChIKeyRXHNCTXZTSAZHT-UHFFFAOYSA-N
XLogP4.20
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-[5-(cyclopropylmethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(cyclopropylmethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-[4-[5-(cyclopropylmethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (CID 58577711) is 1-[4-[5-(cyclopropylmethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-[4-[5-(cyclopropylmethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-[4-[5-(cyclopropylmethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is O=c1ccn(-c2ccc(-n3nccc3OCC3CC3)cc2F)nc1-c1ccnn1-c1ccccc1.
What is the InChIKey of 1-[4-[5-(cyclopropylmethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is RXHNCTXZTSAZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN6O2/c27-21-16-20(33-25(11-14-29-33)35-17-18-6-7-18)8-9-22(21)31-15-12-24(34)26(30-31)23-10-13-28-32(23)19-4-2-1-3-5-19/h1-5,8-16,18H,6-7,17H2.
What are the key properties of 1-[4-[5-(cyclopropylmethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
1-[4-[5-(cyclopropylmethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 468.49 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(cyclopropylmethoxy)pyrazol-1-yl]-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 58577711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).