3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one

C20H28N6O — CID 20946860

IUPAC3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1nn(-c2ccc(N3CCCC3)nn2)c(C)c1CCC(=O)N1CCCC1
InChIInChI=1S/C20H28N6O/c1-15-17(7-10-20(27)25-13-5-6-14-25)16(2)26(23-15)19-9-8-18(21-22-19)24-11-3-4-12-24/h8-9H,3-7,10-14H2,1-2H3
InChIKeyKIHSSPYQCSLBAB-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.43
Rot. Bonds5

About 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 20946860) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID20946860
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1nn(-c2ccc(N3CCCC3)nn2)c(C)c1CCC(=O)N1CCCC1
InChIInChI=1S/C20H28N6O/c1-15-17(7-10-20(27)25-13-5-6-14-25)16(2)26(23-15)19-9-8-18(21-22-19)24-11-3-4-12-24/h8-9H,3-7,10-14H2,1-2H3
InChIKeyKIHSSPYQCSLBAB-UHFFFAOYSA-N
XLogP2.43
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 20946860) is 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one is Cc1nn(-c2ccc(N3CCCC3)nn2)c(C)c1CCC(=O)N1CCCC1.
What is the InChIKey of 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is KIHSSPYQCSLBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-15-17(7-10-20(27)25-13-5-6-14-25)16(2)26(23-15)19-9-8-18(21-22-19)24-11-3-4-12-24/h8-9H,3-7,10-14H2,1-2H3.
What are the key properties of 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 368.49 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 20946860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).