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

C18H20N6O — CID 70801995

IUPAC(Z)-3-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one
SMILESCC1CCCCN1c1[nH]ncc1/C=C\C(=O)c1cnn2cccnc12
InChIInChI=1S/C18H20N6O/c1-13-5-2-3-9-23(13)17-14(11-20-22-17)6-7-16(25)15-12-21-24-10-4-8-19-18(15)24/h4,6-8,10-13H,2-3,5,9H2,1H3,(H,20,22)/b7-6-
InChIKeyFGXNECJHRVFJSW-SREVYHEPSA-N
MW336.40 g/mol
LogP2.73
Rot. Bonds4

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

(Z)-3-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one (PubChem CID 70801995) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is (Z)-3-[5-(2-methylpiperidin-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-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one
PubChem CID70801995
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name(Z)-3-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one
SMILESCC1CCCCN1c1[nH]ncc1/C=C\C(=O)c1cnn2cccnc12
InChIInChI=1S/C18H20N6O/c1-13-5-2-3-9-23(13)17-14(11-20-22-17)6-7-16(25)15-12-21-24-10-4-8-19-18(15)24/h4,6-8,10-13H,2-3,5,9H2,1H3,(H,20,22)/b7-6-
InChIKeyFGXNECJHRVFJSW-SREVYHEPSA-N
XLogP2.73
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-(2-methylpiperidin-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-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one (CID 70801995) is (Z)-3-[5-(2-methylpiperidin-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-(2-methylpiperidin-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-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one is CC1CCCCN1c1[nH]ncc1/C=C\C(=O)c1cnn2cccnc12.
What is the InChIKey of (Z)-3-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one?
The InChIKey is FGXNECJHRVFJSW-SREVYHEPSA-N. The full InChI is InChI=1S/C18H20N6O/c1-13-5-2-3-9-23(13)17-14(11-20-22-17)6-7-16(25)15-12-21-24-10-4-8-19-18(15)24/h4,6-8,10-13H,2-3,5,9H2,1H3,(H,20,22)/b7-6-.
What are the key properties of (Z)-3-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one?
(Z)-3-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one has a molecular weight of 336.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-(2-methylpiperidin-1-yl)-1H-pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-en-1-one is sourced from PubChem (CID 70801995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).