N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide

C16H21N3O3 — CID 100646270

IUPACN-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide
SMILESCCOc1ccc([C@@H](COC)NC(=O)c2ccnn2C)cc1
InChIInChI=1S/C16H21N3O3/c1-4-22-13-7-5-12(6-8-13)14(11-21-3)18-16(20)15-9-10-17-19(15)2/h5-10,14H,4,11H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyRRWHBMXKMJFWCQ-CQSZACIVSA-N
MW303.36 g/mol
LogP1.94
Rot. Bonds7

About N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide

N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 100646270) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide
PubChem CID100646270
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide
SMILESCCOc1ccc([C@@H](COC)NC(=O)c2ccnn2C)cc1
InChIInChI=1S/C16H21N3O3/c1-4-22-13-7-5-12(6-8-13)14(11-21-3)18-16(20)15-9-10-17-19(15)2/h5-10,14H,4,11H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyRRWHBMXKMJFWCQ-CQSZACIVSA-N
XLogP1.94
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 119052898
N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]pyrazine-2-carboxamide
CID 124854277
N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide
CID 124730066
N-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide
CID 106154825
N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide
CID 124847644
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
CID 167894520
N-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide
CID 63755943
(2R)-N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]oxolane-2-carboxamide
CID 124881098
N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 166180863
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
N-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide
CID 106243123

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide (CID 100646270) is N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide is CCOc1ccc([C@@H](COC)NC(=O)c2ccnn2C)cc1.
What is the InChIKey of N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is RRWHBMXKMJFWCQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-22-13-7-5-12(6-8-13)14(11-21-3)18-16(20)15-9-10-17-19(15)2/h5-10,14H,4,11H2,1-3H3,(H,18,20)/t14-/m1/s1.
What are the key properties of N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide?
N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 100646270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).