1-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]pyrrolidin-1-yl]butan-1-one

C19H24N8O — CID 151991771

IUPAC1-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(n2cc(-c3ccnc(Nc4cnn(C)c4)n3)cn2)C1
InChIInChI=1S/C19H24N8O/c1-3-4-18(28)26-8-6-16(13-26)27-11-14(9-22-27)17-5-7-20-19(24-17)23-15-10-21-25(2)12-15/h5,7,9-12,16H,3-4,6,8,13H2,1-2H3,(H,20,23,24)
InChIKeyUEVBYPJRFQJWEU-UHFFFAOYSA-N
MW380.46 g/mol
LogP2.39
Rot. Bonds6

About 1-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]pyrrolidin-1-yl]butan-1-one

1-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]pyrrolidin-1-yl]butan-1-one (PubChem CID 151991771) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is 1-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]pyrrolidin-1-yl]butan-1-one
PubChem CID151991771
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name1-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(n2cc(-c3ccnc(Nc4cnn(C)c4)n3)cn2)C1
InChIInChI=1S/C19H24N8O/c1-3-4-18(28)26-8-6-16(13-26)27-11-14(9-22-27)17-5-7-20-19(24-17)23-15-10-21-25(2)12-15/h5,7,9-12,16H,3-4,6,8,13H2,1-2H3,(H,20,23,24)
InChIKeyUEVBYPJRFQJWEU-UHFFFAOYSA-N
XLogP2.39
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one
CID 150528640
N-(1-methylpyrazol-4-yl)-4-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 150212359
4-[1-(1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 151093664
2-acetyloxyacetic acid;2-hydroxy-1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;[2-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]piperidin-1-yl]-2-oxoethyl] acetate;N-(1-methylpyrazol-4-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
CID 167567643
N-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine
CID 150455915
1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone
CID 152574958
N-(cyanomethyl)-4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide
CID 154940246
2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoic acid
CID 150793941
4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine
CID 104609504
3-[2-methyl-4-[2-[[1-(1-methylazetidin-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]-1-(3-propan-2-yloxyazetidin-1-yl)propan-1-one
CID 161016331
1-(3-tert-butylpyrrolidin-1-yl)-3-[4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]propan-1-one
CID 159027786
cyclopropyl-[(1R,5R)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 155558729

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]pyrrolidin-1-yl]butan-1-one (CID 151991771) is 1-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]pyrrolidin-1-yl]butan-1-one is CCCC(=O)N1CCC(n2cc(-c3ccnc(Nc4cnn(C)c4)n3)cn2)C1.
What is the InChIKey of 1-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]pyrrolidin-1-yl]butan-1-one?
The InChIKey is UEVBYPJRFQJWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-3-4-18(28)26-8-6-16(13-26)27-11-14(9-22-27)17-5-7-20-19(24-17)23-15-10-21-25(2)12-15/h5,7,9-12,16H,3-4,6,8,13H2,1-2H3,(H,20,23,24).
What are the key properties of 1-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]pyrrolidin-1-yl]butan-1-one?
1-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]pyrrolidin-1-yl]butan-1-one has a molecular weight of 380.46 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 151991771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).