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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloropyrazol-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 136526860
cyclopentyl-[4-(4-methyl-5-pyrimidin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 46953462
2-(4-iodopyrazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 5299765
[(3R,5R)-5-(4-pyrimidin-4-ylpiperidine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 72917725
1-[3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110246532
1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde
CID 122240500
2-(4-ethynylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 122240514
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
1-(azepan-1-yl)-2-(4-nitropyrazol-1-yl)ethanone
CID 17383712
1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 70734448
2-(4-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]ethanone
CID 92563712
2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone
CID 71808815

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).