N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxy-1-methylpyrazole-4-carboxamide

C17H21N7O3 — CID 136636820

IUPACN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)c2cn(C)nc2OC)[nH]c1=O
InChIInChI=1S/C17H21N7O3/c1-6-11-10(3)18-17(20-14(11)25)24-13(7-9(2)21-24)19-15(26)12-8-23(4)22-16(12)27-5/h7-8H,6H2,1-5H3,(H,19,26)(H,18,20,25)
InChIKeyYQSWOPIEVFWWHD-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.13
Rot. Bonds5

About N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 136636820) has the molecular formula C17H21N7O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID136636820
Molecular FormulaC17H21N7O3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC NameN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)c2cn(C)nc2OC)[nH]c1=O
InChIInChI=1S/C17H21N7O3/c1-6-11-10(3)18-17(20-14(11)25)24-13(7-9(2)21-24)19-15(26)12-8-23(4)22-16(12)27-5/h7-8H,6H2,1-5H3,(H,19,26)(H,18,20,25)
InChIKeyYQSWOPIEVFWWHD-UHFFFAOYSA-N
XLogP1.13
TPSA119.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 136636820) is N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxy-1-methylpyrazole-4-carboxamide is CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2cn(C)nc2OC)[nH]c1=O.
What is the InChIKey of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is YQSWOPIEVFWWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O3/c1-6-11-10(3)18-17(20-14(11)25)24-13(7-9(2)21-24)19-15(26)12-8-23(4)22-16(12)27-5/h7-8H,6H2,1-5H3,(H,19,26)(H,18,20,25).
What are the key properties of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 136636820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).