ethyl 1-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate

C24H28N4O3 — CID 4988814

IUPACethyl 1-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cnc3c(-c4ccccc4)c(C)nn3c2CC)CC1
InChIInChI=1S/C24H28N4O3/c1-4-20-19(23(29)27-13-11-18(12-14-27)24(30)31-5-2)15-25-22-21(16(3)26-28(20)22)17-9-7-6-8-10-17/h6-10,15,18H,4-5,11-14H2,1-3H3
InChIKeyWQWBUDIFKFERML-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.68
Rot. Bonds5

About ethyl 1-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate

ethyl 1-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate (PubChem CID 4988814) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is ethyl 1-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
PubChem CID4988814
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Nameethyl 1-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cnc3c(-c4ccccc4)c(C)nn3c2CC)CC1
InChIInChI=1S/C24H28N4O3/c1-4-20-19(23(29)27-13-11-18(12-14-27)24(30)31-5-2)15-25-22-21(16(3)26-28(20)22)17-9-7-6-8-10-17/h6-10,15,18H,4-5,11-14H2,1-3H3
InChIKeyWQWBUDIFKFERML-UHFFFAOYSA-N
XLogP3.68
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 3603837
7-ethyl-2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7356314
N-cyclopropyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811868
ethyl 1-[4-[benzyl(methyl)amino]-2-phenylpyrimidine-5-carbonyl]piperidine-4-carboxylate
CID 42820759
ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate
CID 2813431
[3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 50790806
ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate
CID 115540184
ethyl 1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperidine-4-carboxylate
CID 4808931
N-[(2R)-5-(diethylamino)pentan-2-yl]-7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7238720
ethyl 1-(2-amino-3-fluorobenzoyl)piperidine-4-carboxylate
CID 80503441
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate
CID 39950024

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate (CID 4988814) is ethyl 1-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cnc3c(-c4ccccc4)c(C)nn3c2CC)CC1.
What is the InChIKey of ethyl 1-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate?
The InChIKey is WQWBUDIFKFERML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-4-20-19(23(29)27-13-11-18(12-14-27)24(30)31-5-2)15-25-22-21(16(3)26-28(20)22)17-9-7-6-8-10-17/h6-10,15,18H,4-5,11-14H2,1-3H3.
What are the key properties of ethyl 1-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate?
ethyl 1-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate has a molecular weight of 420.51 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 4988814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).