N-(2,6-diethylphenyl)-3-[2-(2-methoxyanilino)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide

C25H26N6O2 — CID 66558169

IUPACN-(2,6-diethylphenyl)-3-[2-(2-methoxyanilino)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(-c2ccnc(Nc3ccccc3OC)n2)n[nH]1
InChIInChI=1S/C25H26N6O2/c1-4-16-9-8-10-17(5-2)23(16)29-24(32)21-15-20(30-31-21)18-13-14-26-25(27-18)28-19-11-6-7-12-22(19)33-3/h6-15H,4-5H2,1-3H3,(H,29,32)(H,30,31)(H,26,27,28)
InChIKeyANWOMOBMTBNCGP-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.00
Rot. Bonds8

About N-(2,6-diethylphenyl)-3-[2-(2-methoxyanilino)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide

N-(2,6-diethylphenyl)-3-[2-(2-methoxyanilino)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 66558169) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-3-[2-(2-methoxyanilino)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-3-[2-(2-methoxyanilino)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID66558169
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC NameN-(2,6-diethylphenyl)-3-[2-(2-methoxyanilino)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(-c2ccnc(Nc3ccccc3OC)n2)n[nH]1
InChIInChI=1S/C25H26N6O2/c1-4-16-9-8-10-17(5-2)23(16)29-24(32)21-15-20(30-31-21)18-13-14-26-25(27-18)28-19-11-6-7-12-22(19)33-3/h6-15H,4-5H2,1-3H3,(H,29,32)(H,30,31)(H,26,27,28)
InChIKeyANWOMOBMTBNCGP-UHFFFAOYSA-N
XLogP5.00
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-diethylphenyl)-5-[2-(2-methoxyanilino)pyrimidin-4-yl]-1-methylpyrrole-3-carboxamide
CID 46917717
N-(2,6-diethylphenyl)-5-[2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]-1-methylpyrrole-3-carboxamide
CID 46917568
N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046359
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856755
2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109315540
N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308577
2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313739
5-N-(2-ethyl-6-methylphenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112964508
2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317564
2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313021
N-(2,5-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352014
N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317819

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-3-[2-(2-methoxyanilino)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-3-[2-(2-methoxyanilino)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide (CID 66558169) is N-(2,6-diethylphenyl)-3-[2-(2-methoxyanilino)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-3-[2-(2-methoxyanilino)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-3-[2-(2-methoxyanilino)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide is CCc1cccc(CC)c1NC(=O)c1cc(-c2ccnc(Nc3ccccc3OC)n2)n[nH]1.
What is the InChIKey of N-(2,6-diethylphenyl)-3-[2-(2-methoxyanilino)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is ANWOMOBMTBNCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-4-16-9-8-10-17(5-2)23(16)29-24(32)21-15-20(30-31-21)18-13-14-26-25(27-18)28-19-11-6-7-12-22(19)33-3/h6-15H,4-5H2,1-3H3,(H,29,32)(H,30,31)(H,26,27,28).
What are the key properties of N-(2,6-diethylphenyl)-3-[2-(2-methoxyanilino)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide?
N-(2,6-diethylphenyl)-3-[2-(2-methoxyanilino)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 5.00, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-3-[2-(2-methoxyanilino)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 66558169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).