N-benzyl-N-ethyl-5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide

C21H23N5O2 — CID 137049186

IUPACN-benzyl-N-ethyl-5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnn(-c2nc3c(c(=O)[nH]2)CCC3)c1C
InChIInChI=1S/C21H23N5O2/c1-3-25(13-15-8-5-4-6-9-15)20(28)17-12-22-26(14(17)2)21-23-18-11-7-10-16(18)19(27)24-21/h4-6,8-9,12H,3,7,10-11,13H2,1-2H3,(H,23,24,27)
InChIKeyFZNMCUDAGVZVJK-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.42
Rot. Bonds5

About N-benzyl-N-ethyl-5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide

N-benzyl-N-ethyl-5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 137049186) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID137049186
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-benzyl-N-ethyl-5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnn(-c2nc3c(c(=O)[nH]2)CCC3)c1C
InChIInChI=1S/C21H23N5O2/c1-3-25(13-15-8-5-4-6-9-15)20(28)17-12-22-26(14(17)2)21-23-18-11-7-10-16(18)19(27)24-21/h4-6,8-9,12H,3,7,10-11,13H2,1-2H3,(H,23,24,27)
InChIKeyFZNMCUDAGVZVJK-UHFFFAOYSA-N
XLogP2.42
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide (CID 137049186) is N-benzyl-N-ethyl-5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1cnn(-c2nc3c(c(=O)[nH]2)CCC3)c1C.
What is the InChIKey of N-benzyl-N-ethyl-5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is FZNMCUDAGVZVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-3-25(13-15-8-5-4-6-9-15)20(28)17-12-22-26(14(17)2)21-23-18-11-7-10-16(18)19(27)24-21/h4-6,8-9,12H,3,7,10-11,13H2,1-2H3,(H,23,24,27).
What are the key properties of N-benzyl-N-ethyl-5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide?
N-benzyl-N-ethyl-5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 137049186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).