N-benzyl-N-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H18N4O2 — CID 50926751

IUPACN-benzyl-N-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1c[nH]n2c(=O)cc(C)nc12
InChIInChI=1S/C17H18N4O2/c1-3-20(11-13-7-5-4-6-8-13)17(23)14-10-18-21-15(22)9-12(2)19-16(14)21/h4-10,18H,3,11H2,1-2H3
InChIKeyXFDLVRRUSOSQIP-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.99
Rot. Bonds4

About N-benzyl-N-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-benzyl-N-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 50926751) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID50926751
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-benzyl-N-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1c[nH]n2c(=O)cc(C)nc12
InChIInChI=1S/C17H18N4O2/c1-3-20(11-13-7-5-4-6-8-13)17(23)14-10-18-21-15(22)9-12(2)19-16(14)21/h4-10,18H,3,11H2,1-2H3
InChIKeyXFDLVRRUSOSQIP-UHFFFAOYSA-N
XLogP1.99
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82274273
N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
CID 45285247
N-benzyl-N-ethyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337000
N-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681550
3-benzyl-N,N-diethyl-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53097001
N-benzyl-2-(2-chloroanilino)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109329583
N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide
CID 115745298
N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide
CID 28826070
N-benzyl-N-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620626
N-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109329547
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109329545
N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide
CID 110691383

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 50926751) is N-benzyl-N-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1c[nH]n2c(=O)cc(C)nc12.
What is the InChIKey of N-benzyl-N-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XFDLVRRUSOSQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-20(11-13-7-5-4-6-8-13)17(23)14-10-18-21-15(22)9-12(2)19-16(14)21/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-benzyl-N-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 50926751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).