ethyl 2-phenyl-7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate

C20H24N4O2 — CID 137025929

IUPACethyl 2-phenyl-7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nn2c1NCC=C2C1CCNCC1
InChIInChI=1S/C20H24N4O2/c1-2-26-20(25)17-18(15-6-4-3-5-7-15)23-24-16(10-13-22-19(17)24)14-8-11-21-12-9-14/h3-7,10,14,21-22H,2,8-9,11-13H2,1H3
InChIKeyWJQSRIFFNIYNFT-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.99
Rot. Bonds4

About ethyl 2-phenyl-7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 2-phenyl-7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 137025929) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is ethyl 2-phenyl-7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenyl-7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID137025929
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Nameethyl 2-phenyl-7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nn2c1NCC=C2C1CCNCC1
InChIInChI=1S/C20H24N4O2/c1-2-26-20(25)17-18(15-6-4-3-5-7-15)23-24-16(10-13-22-19(17)24)14-8-11-21-12-9-14/h3-7,10,14,21-22H,2,8-9,11-13H2,1H3
InChIKeyWJQSRIFFNIYNFT-UHFFFAOYSA-N
XLogP2.99
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 2-phenyl-7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 137025929) is ethyl 2-phenyl-7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 2-phenyl-7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 2-phenyl-7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)nn2c1NCC=C2C1CCNCC1.
What is the InChIKey of ethyl 2-phenyl-7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is WJQSRIFFNIYNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-26-20(25)17-18(15-6-4-3-5-7-15)23-24-16(10-13-22-19(17)24)14-8-11-21-12-9-14/h3-7,10,14,21-22H,2,8-9,11-13H2,1H3.
What are the key properties of ethyl 2-phenyl-7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 2-phenyl-7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 352.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 137025929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).