N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

C21H22N6O2 — CID 19340410

IUPACN-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCCn1ncc(Cn2cc(NC(=O)c3cc(-c4ccc(C)cc4)on3)cn2)c1C
InChIInChI=1S/C21H22N6O2/c1-4-27-15(3)17(10-23-27)12-26-13-18(11-22-26)24-21(28)19-9-20(29-25-19)16-7-5-14(2)6-8-16/h5-11,13H,4,12H2,1-3H3,(H,24,28)
InChIKeyDKABOHZKZFEDCC-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.67
Rot. Bonds6

About N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 19340410) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID19340410
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCCn1ncc(Cn2cc(NC(=O)c3cc(-c4ccc(C)cc4)on3)cn2)c1C
InChIInChI=1S/C21H22N6O2/c1-4-27-15(3)17(10-23-27)12-26-13-18(11-22-26)24-21(28)19-9-20(29-25-19)16-7-5-14(2)6-8-16/h5-11,13H,4,12H2,1-3H3,(H,24,28)
InChIKeyDKABOHZKZFEDCC-UHFFFAOYSA-N
XLogP3.67
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 19475757
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19514083
4-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340392
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508361
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide
CID 19340332
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 4865164
1,3-bis[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 19445910
1-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19271916
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 95744309
7-[chloro(difluoro)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19459806
2-(4-chlorobenzoyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340402
1-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-nitropyrazole-5-carboxamide
CID 19476569

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 19340410) is N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is CCn1ncc(Cn2cc(NC(=O)c3cc(-c4ccc(C)cc4)on3)cn2)c1C.
What is the InChIKey of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is DKABOHZKZFEDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-4-27-15(3)17(10-23-27)12-26-13-18(11-22-26)24-21(28)19-9-20(29-25-19)16-7-5-14(2)6-8-16/h5-11,13H,4,12H2,1-3H3,(H,24,28).
What are the key properties of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19340410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).