2-(4-pyrimidin-4-ylpyrazol-1-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone

C19H24N6O2 — CID 167958877

IUPAC2-(4-pyrimidin-4-ylpyrazol-1-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(Cn1cc(-c2ccncn2)cn1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C19H24N6O2/c26-18(13-25-12-16(11-22-25)17-3-6-20-14-21-17)23-9-4-15(5-10-23)19(27)24-7-1-2-8-24/h3,6,11-12,14-15H,1-2,4-5,7-10,13H2
InChIKeyUQSDFJPHOGIAHE-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.20
Rot. Bonds4

About 2-(4-pyrimidin-4-ylpyrazol-1-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone

2-(4-pyrimidin-4-ylpyrazol-1-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 167958877) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(4-pyrimidin-4-ylpyrazol-1-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-pyrimidin-4-ylpyrazol-1-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID167958877
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name2-(4-pyrimidin-4-ylpyrazol-1-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(Cn1cc(-c2ccncn2)cn1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C19H24N6O2/c26-18(13-25-12-16(11-22-25)17-3-6-20-14-21-17)23-9-4-15(5-10-23)19(27)24-7-1-2-8-24/h3,6,11-12,14-15H,1-2,4-5,7-10,13H2
InChIKeyUQSDFJPHOGIAHE-UHFFFAOYSA-N
XLogP1.20
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-4-ylpyrazol-1-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-pyrimidin-4-ylpyrazol-1-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone (CID 167958877) is 2-(4-pyrimidin-4-ylpyrazol-1-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-pyrimidin-4-ylpyrazol-1-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-pyrimidin-4-ylpyrazol-1-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone is O=C(Cn1cc(-c2ccncn2)cn1)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of 2-(4-pyrimidin-4-ylpyrazol-1-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is UQSDFJPHOGIAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c26-18(13-25-12-16(11-22-25)17-3-6-20-14-21-17)23-9-4-15(5-10-23)19(27)24-7-1-2-8-24/h3,6,11-12,14-15H,1-2,4-5,7-10,13H2.
What are the key properties of 2-(4-pyrimidin-4-ylpyrazol-1-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone?
2-(4-pyrimidin-4-ylpyrazol-1-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 368.44 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-4-ylpyrazol-1-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 167958877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).