(Z)-3-[5-(3,3-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one

C19H22N6O — CID 70801972

IUPAC(Z)-3-[5-(3,3-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one
SMILESCC1(C)CCCN(c2[nH]ncc2/C=C\C(=O)c2cnn3cccnc23)C1
InChIInChI=1S/C19H22N6O/c1-19(2)7-3-9-24(13-19)17-14(11-21-23-17)5-6-16(26)15-12-22-25-10-4-8-20-18(15)25/h4-6,8,10-12H,3,7,9,13H2,1-2H3,(H,21,23)/b6-5-
InChIKeyFGLBGEVFQVRDOK-WAYWQWQTSA-N
MW350.43 g/mol
LogP2.97
Rot. Bonds4

About (Z)-3-[5-(3,3-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one

(Z)-3-[5-(3,3-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one (PubChem CID 70801972) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is (Z)-3-[5-(3,3-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-[5-(3,3-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one
PubChem CID70801972
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name(Z)-3-[5-(3,3-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one
SMILESCC1(C)CCCN(c2[nH]ncc2/C=C\C(=O)c2cnn3cccnc23)C1
InChIInChI=1S/C19H22N6O/c1-19(2)7-3-9-24(13-19)17-14(11-21-23-17)5-6-16(26)15-12-22-25-10-4-8-20-18(15)25/h4-6,8,10-12H,3,7,9,13H2,1-2H3,(H,21,23)/b6-5-
InChIKeyFGLBGEVFQVRDOK-WAYWQWQTSA-N
XLogP2.97
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-[5-(3,3-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-(3,3-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one?
The IUPAC name of (Z)-3-[5-(3,3-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one (CID 70801972) is (Z)-3-[5-(3,3-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-[5-(3,3-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one?
The canonical SMILES for (Z)-3-[5-(3,3-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one is CC1(C)CCCN(c2[nH]ncc2/C=C\C(=O)c2cnn3cccnc23)C1.
What is the InChIKey of (Z)-3-[5-(3,3-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one?
The InChIKey is FGLBGEVFQVRDOK-WAYWQWQTSA-N. The full InChI is InChI=1S/C19H22N6O/c1-19(2)7-3-9-24(13-19)17-14(11-21-23-17)5-6-16(26)15-12-22-25-10-4-8-20-18(15)25/h4-6,8,10-12H,3,7,9,13H2,1-2H3,(H,21,23)/b6-5-.
What are the key properties of (Z)-3-[5-(3,3-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one?
(Z)-3-[5-(3,3-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one has a molecular weight of 350.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-(3,3-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one is sourced from PubChem (CID 70801972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).