3-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-5,6-dimethylpyridazine-4-carbonitrile

C20H22N6 — CID 133369076

IUPAC3-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1cc(C)n(-c2ccc(C(C)Nc3nnc(C)c(C)c3C#N)cc2)n1
InChIInChI=1S/C20H22N6/c1-12-10-13(2)26(25-12)18-8-6-17(7-9-18)16(5)22-20-19(11-21)14(3)15(4)23-24-20/h6-10,16H,1-5H3,(H,22,24)
InChIKeyQGQONVBWVWGQED-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.94
Rot. Bonds4

About 3-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-5,6-dimethylpyridazine-4-carbonitrile

3-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 133369076) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 3-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID133369076
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name3-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1cc(C)n(-c2ccc(C(C)Nc3nnc(C)c(C)c3C#N)cc2)n1
InChIInChI=1S/C20H22N6/c1-12-10-13(2)26(25-12)18-8-6-17(7-9-18)16(5)22-20-19(11-21)14(3)15(4)23-24-20/h6-10,16H,1-5H3,(H,22,24)
InChIKeyQGQONVBWVWGQED-UHFFFAOYSA-N
XLogP3.94
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile
CID 60968436
5,6-dimethyl-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethylamino]pyridazine-4-carbonitrile
CID 51125562
3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 47151232
N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-nitropyridin-2-amine
CID 71852156
5,6-dimethyl-3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbonitrile
CID 63613595
3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 104828361
2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide
CID 119894640
5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile
CID 63010424
5,6-dimethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbonitrile
CID 47394896
(2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide
CID 96570122
3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride
CID 120504201
4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide
CID 120565817

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-5,6-dimethylpyridazine-4-carbonitrile (CID 133369076) is 3-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-5,6-dimethylpyridazine-4-carbonitrile is Cc1cc(C)n(-c2ccc(C(C)Nc3nnc(C)c(C)c3C#N)cc2)n1.
What is the InChIKey of 3-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is QGQONVBWVWGQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-12-10-13(2)26(25-12)18-8-6-17(7-9-18)16(5)22-20-19(11-21)14(3)15(4)23-24-20/h6-10,16H,1-5H3,(H,22,24).
What are the key properties of 3-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 346.44 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 133369076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).