[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-morpholin-4-ylmethanone

C19H18ClN5O3 — CID 71697563

IUPAC[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C19H18ClN5O3/c1-27-18-7-6-17(21-22-18)25-16(13-2-4-14(20)5-3-13)12-15(23-25)19(26)24-8-10-28-11-9-24/h2-7,12H,8-11H2,1H3
InChIKeyLBIJWBPGGQRZHU-UHFFFAOYSA-N
MW399.84 g/mol
LogP2.46
Rot. Bonds4

About [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-morpholin-4-ylmethanone

[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 71697563) has the molecular formula C19H18ClN5O3 and a molecular weight of 399.84 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID71697563
Molecular FormulaC19H18ClN5O3
Molecular Weight399.84 g/mol
Exact Mass399.11
IUPAC Name[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C19H18ClN5O3/c1-27-18-7-6-17(21-22-18)25-16(13-2-4-14(20)5-3-13)12-15(23-25)19(26)24-8-10-28-11-9-24/h2-7,12H,8-11H2,1H3
InChIKeyLBIJWBPGGQRZHU-UHFFFAOYSA-N
XLogP2.46
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-morpholin-4-ylmethanone (CID 71697563) is [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-morpholin-4-ylmethanone is COc1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccc(Cl)cc2)nn1.
What is the InChIKey of [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is LBIJWBPGGQRZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O3/c1-27-18-7-6-17(21-22-18)25-16(13-2-4-14(20)5-3-13)12-15(23-25)19(26)24-8-10-28-11-9-24/h2-7,12H,8-11H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-morpholin-4-ylmethanone?
[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 399.84 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71697563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).