N-ethyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide

C19H21FN6O2 — CID 69093470

IUPACN-ethyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
SMILESCCNC(=O)Cn1cc(Nc2ncc(C)c(-c3ccc(OC)c(F)c3)n2)cn1
InChIInChI=1S/C19H21FN6O2/c1-4-21-17(27)11-26-10-14(9-23-26)24-19-22-8-12(2)18(25-19)13-5-6-16(28-3)15(20)7-13/h5-10H,4,11H2,1-3H3,(H,21,27)(H,22,24,25)
InChIKeyQORMBXDKDAFPIM-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.68
Rot. Bonds7

About N-ethyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide

N-ethyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide (PubChem CID 69093470) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is N-ethyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
PubChem CID69093470
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC NameN-ethyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
SMILESCCNC(=O)Cn1cc(Nc2ncc(C)c(-c3ccc(OC)c(F)c3)n2)cn1
InChIInChI=1S/C19H21FN6O2/c1-4-21-17(27)11-26-10-14(9-23-26)24-19-22-8-12(2)18(25-19)13-5-6-16(28-3)15(20)7-13/h5-10H,4,11H2,1-3H3,(H,21,27)(H,22,24,25)
InChIKeyQORMBXDKDAFPIM-UHFFFAOYSA-N
XLogP2.68
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide (CID 69093470) is N-ethyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide is CCNC(=O)Cn1cc(Nc2ncc(C)c(-c3ccc(OC)c(F)c3)n2)cn1.
What is the InChIKey of N-ethyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide?
The InChIKey is QORMBXDKDAFPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-4-21-17(27)11-26-10-14(9-23-26)24-19-22-8-12(2)18(25-19)13-5-6-16(28-3)15(20)7-13/h5-10H,4,11H2,1-3H3,(H,21,27)(H,22,24,25).
What are the key properties of N-ethyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide?
N-ethyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide has a molecular weight of 384.42 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 69093470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).