(5-phenyl-1H-pyrazol-4-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone

C19H20N6O — CID 154747999

IUPAC(5-phenyl-1H-pyrazol-4-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone
SMILESO=C(c1cn[nH]c1-c1ccccc1)N1CCCN(c2cccnn2)CC1
InChIInChI=1S/C19H20N6O/c26-19(16-14-21-23-18(16)15-6-2-1-3-7-15)25-11-5-10-24(12-13-25)17-8-4-9-20-22-17/h1-4,6-9,14H,5,10-13H2,(H,21,23)
InChIKeyRESFTYCUHXKPRD-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.22
Rot. Bonds3

About (5-phenyl-1H-pyrazol-4-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone

(5-phenyl-1H-pyrazol-4-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone (PubChem CID 154747999) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is (5-phenyl-1H-pyrazol-4-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(5-phenyl-1H-pyrazol-4-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone
PubChem CID154747999
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name(5-phenyl-1H-pyrazol-4-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone
SMILESO=C(c1cn[nH]c1-c1ccccc1)N1CCCN(c2cccnn2)CC1
InChIInChI=1S/C19H20N6O/c26-19(16-14-21-23-18(16)15-6-2-1-3-7-15)25-11-5-10-24(12-13-25)17-8-4-9-20-22-17/h1-4,6-9,14H,5,10-13H2,(H,21,23)
InChIKeyRESFTYCUHXKPRD-UHFFFAOYSA-N
XLogP2.22
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 71824945
(5-fluoro-2-iodophenyl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone
CID 86905086
1-[4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 17408119
(2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060383
(2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone
CID 55869721
[5-(4-butoxyphenyl)-1H-pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 71824894
(2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060375
(1-propan-2-ylpyrazol-3-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone
CID 86945380
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 72903607
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone
CID 17424319
(4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060430

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1H-pyrazol-4-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (5-phenyl-1H-pyrazol-4-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone (CID 154747999) is (5-phenyl-1H-pyrazol-4-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (5-phenyl-1H-pyrazol-4-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (5-phenyl-1H-pyrazol-4-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone is O=C(c1cn[nH]c1-c1ccccc1)N1CCCN(c2cccnn2)CC1.
What is the InChIKey of (5-phenyl-1H-pyrazol-4-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone?
The InChIKey is RESFTYCUHXKPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-19(16-14-21-23-18(16)15-6-2-1-3-7-15)25-11-5-10-24(12-13-25)17-8-4-9-20-22-17/h1-4,6-9,14H,5,10-13H2,(H,21,23).
What are the key properties of (5-phenyl-1H-pyrazol-4-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone?
(5-phenyl-1H-pyrazol-4-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone has a molecular weight of 348.41 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1H-pyrazol-4-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 154747999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).