3-(methoxymethyl)-1-methyl-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]pyrazole-4-carboxamide

C23H27N3O3 — CID 166244875

IUPAC3-(methoxymethyl)-1-methyl-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]pyrazole-4-carboxamide
SMILESCOCc1nn(C)cc1C(=O)NC(C)c1ccc(OC(C)c2ccccc2)cc1
InChIInChI=1S/C23H27N3O3/c1-16(24-23(27)21-14-26(3)25-22(21)15-28-4)18-10-12-20(13-11-18)29-17(2)19-8-6-5-7-9-19/h5-14,16-17H,15H2,1-4H3,(H,24,27)
InChIKeyXYWZXPFGSCYYHC-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.20
Rot. Bonds8

About 3-(methoxymethyl)-1-methyl-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]pyrazole-4-carboxamide

3-(methoxymethyl)-1-methyl-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]pyrazole-4-carboxamide (PubChem CID 166244875) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-methyl-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-1-methyl-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]pyrazole-4-carboxamide
PubChem CID166244875
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name3-(methoxymethyl)-1-methyl-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]pyrazole-4-carboxamide
SMILESCOCc1nn(C)cc1C(=O)NC(C)c1ccc(OC(C)c2ccccc2)cc1
InChIInChI=1S/C23H27N3O3/c1-16(24-23(27)21-14-26(3)25-22(21)15-28-4)18-10-12-20(13-11-18)29-17(2)19-8-6-5-7-9-19/h5-14,16-17H,15H2,1-4H3,(H,24,27)
InChIKeyXYWZXPFGSCYYHC-UHFFFAOYSA-N
XLogP4.20
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide
CID 29097432
4-bromo-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 19262736
4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 107863890
N-[1-[4-(1-phenylethoxy)phenyl]ethyl]hydroxylamine
CID 10658809
N-(3-ethyl-1-methylpyrazol-4-yl)-N'-[1-(4-phenoxyphenyl)ethyl]oxamide
CID 166197683
3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide
CID 166195891
3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 51853849
4-[1-(4-tert-butylphenyl)ethylcarbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498617
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethoxy)benzamide
CID 60566958
1-methyl-4-nitro-N-[1-(4-phenoxyphenyl)ethyl]pyrazole-3-carboxamide
CID 75395693
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 96582836
N-[1-(4-methoxyphenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 46763830

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-methyl-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(methoxymethyl)-1-methyl-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]pyrazole-4-carboxamide (CID 166244875) is 3-(methoxymethyl)-1-methyl-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-1-methyl-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-1-methyl-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]pyrazole-4-carboxamide is COCc1nn(C)cc1C(=O)NC(C)c1ccc(OC(C)c2ccccc2)cc1.
What is the InChIKey of 3-(methoxymethyl)-1-methyl-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]pyrazole-4-carboxamide?
The InChIKey is XYWZXPFGSCYYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16(24-23(27)21-14-26(3)25-22(21)15-28-4)18-10-12-20(13-11-18)29-17(2)19-8-6-5-7-9-19/h5-14,16-17H,15H2,1-4H3,(H,24,27).
What are the key properties of 3-(methoxymethyl)-1-methyl-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]pyrazole-4-carboxamide?
3-(methoxymethyl)-1-methyl-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]pyrazole-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-methyl-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 166244875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).