N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C17H25N5O3 — CID 72884537

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCn1nc(C)c(CN(CCOC)C(=O)c2cnc(C)[nH]c2=O)c1C
InChIInChI=1S/C17H25N5O3/c1-6-22-12(3)15(11(2)20-22)10-21(7-8-25-5)17(24)14-9-18-13(4)19-16(14)23/h9H,6-8,10H2,1-5H3,(H,18,19,23)
InChIKeyRQZWFCNQWMWQRA-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.20
Rot. Bonds7

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72884537) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID72884537
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCn1nc(C)c(CN(CCOC)C(=O)c2cnc(C)[nH]c2=O)c1C
InChIInChI=1S/C17H25N5O3/c1-6-22-12(3)15(11(2)20-22)10-21(7-8-25-5)17(24)14-9-18-13(4)19-16(14)23/h9H,6-8,10H2,1-5H3,(H,18,19,23)
InChIKeyRQZWFCNQWMWQRA-UHFFFAOYSA-N
XLogP1.20
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 72884537) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is CCn1nc(C)c(CN(CCOC)C(=O)c2cnc(C)[nH]c2=O)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is RQZWFCNQWMWQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-6-22-12(3)15(11(2)20-22)10-21(7-8-25-5)17(24)14-9-18-13(4)19-16(14)23/h9H,6-8,10H2,1-5H3,(H,18,19,23).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72884537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).