N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide

C19H21N5O3 — CID 121119799

IUPACN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCc1cc(=O)n(CCNC(=O)c2cc(-c3ccccc3OC)n[nH]2)cn1
InChIInChI=1S/C19H21N5O3/c1-3-13-10-18(25)24(12-21-13)9-8-20-19(26)16-11-15(22-23-16)14-6-4-5-7-17(14)27-2/h4-7,10-12H,3,8-9H2,1-2H3,(H,20,26)(H,22,23)
InChIKeyYEUQCCKIOYAPBC-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.63
Rot. Bonds7

About N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 121119799) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID121119799
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCc1cc(=O)n(CCNC(=O)c2cc(-c3ccccc3OC)n[nH]2)cn1
InChIInChI=1S/C19H21N5O3/c1-3-13-10-18(25)24(12-21-13)9-8-20-19(26)16-11-15(22-23-16)14-6-4-5-7-17(14)27-2/h4-7,10-12H,3,8-9H2,1-2H3,(H,20,26)(H,22,23)
InChIKeyYEUQCCKIOYAPBC-UHFFFAOYSA-N
XLogP1.63
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 121119682
3-(2-methoxyphenyl)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 91819120
3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 71795159
2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121119506
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
CID 121119568
3-(2-methoxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 121034572
2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
CID 90515515
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide
CID 121119576
3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide
CID 90490047
3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 121119290
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 121119766

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 121119799) is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide is CCc1cc(=O)n(CCNC(=O)c2cc(-c3ccccc3OC)n[nH]2)cn1.
What is the InChIKey of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is YEUQCCKIOYAPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-3-13-10-18(25)24(12-21-13)9-8-20-19(26)16-11-15(22-23-16)14-6-4-5-7-17(14)27-2/h4-7,10-12H,3,8-9H2,1-2H3,(H,20,26)(H,22,23).
What are the key properties of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 121119799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).