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

C19H18ClN5O2 — CID 71698181

IUPAC[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCCC3)cc2-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C19H18ClN5O2/c1-27-18-9-8-17(21-22-18)25-16(13-4-6-14(20)7-5-13)12-15(23-25)19(26)24-10-2-3-11-24/h4-9,12H,2-3,10-11H2,1H3
InChIKeyIDJYUCYHTMWOAV-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.23
Rot. Bonds4

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

[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 71698181) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID71698181
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCCC3)cc2-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C19H18ClN5O2/c1-27-18-9-8-17(21-22-18)25-16(13-4-6-14(20)7-5-13)12-15(23-25)19(26)24-10-2-3-11-24/h4-9,12H,2-3,10-11H2,1H3
InChIKeyIDJYUCYHTMWOAV-UHFFFAOYSA-N
XLogP3.23
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone (CID 71698181) is [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone is COc1ccc(-n2nc(C(=O)N3CCCC3)cc2-c2ccc(Cl)cc2)nn1.
What is the InChIKey of [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is IDJYUCYHTMWOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-27-18-9-8-17(21-22-18)25-16(13-4-6-14(20)7-5-13)12-15(23-25)19(26)24-10-2-3-11-24/h4-9,12H,2-3,10-11H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 383.84 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71698181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).