3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide

C21H26N6O2 — CID 20946854

IUPAC3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCc1nn(-c2ccc(N3CCCC3)nn2)c(C)c1CCC(=O)NCc1ccco1
InChIInChI=1S/C21H26N6O2/c1-15-18(7-10-21(28)22-14-17-6-5-13-29-17)16(2)27(25-15)20-9-8-19(23-24-20)26-11-3-4-12-26/h5-6,8-9,13H,3-4,7,10-12,14H2,1-2H3,(H,22,28)
InChIKeySKOKBRSSMTZGBN-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.72
Rot. Bonds7

About 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide

3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 20946854) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID20946854
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCc1nn(-c2ccc(N3CCCC3)nn2)c(C)c1CCC(=O)NCc1ccco1
InChIInChI=1S/C21H26N6O2/c1-15-18(7-10-21(28)22-14-17-6-5-13-29-17)16(2)27(25-15)20-9-8-19(23-24-20)26-11-3-4-12-26/h5-6,8-9,13H,3-4,7,10-12,14H2,1-2H3,(H,22,28)
InChIKeySKOKBRSSMTZGBN-UHFFFAOYSA-N
XLogP2.72
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide (CID 20946854) is 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide is Cc1nn(-c2ccc(N3CCCC3)nn2)c(C)c1CCC(=O)NCc1ccco1.
What is the InChIKey of 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is SKOKBRSSMTZGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-15-18(7-10-21(28)22-14-17-6-5-13-29-17)16(2)27(25-15)20-9-8-19(23-24-20)26-11-3-4-12-26/h5-6,8-9,13H,3-4,7,10-12,14H2,1-2H3,(H,22,28).
What are the key properties of 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide?
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 394.48 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 20946854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).