2-ethoxy-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide

C18H21N5O2 — CID 19340226

IUPAC2-ethoxy-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cnn(Cc2cnn(CC)c2)c1
InChIInChI=1S/C18H21N5O2/c1-3-22-11-14(9-19-22)12-23-13-15(10-20-23)21-18(24)16-7-5-6-8-17(16)25-4-2/h5-11,13H,3-4,12H2,1-2H3,(H,21,24)
InChIKeyFFWLXCPBPVXEMS-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.80
Rot. Bonds7

About 2-ethoxy-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide

2-ethoxy-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19340226) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-ethoxy-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
PubChem CID19340226
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-ethoxy-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cnn(Cc2cnn(CC)c2)c1
InChIInChI=1S/C18H21N5O2/c1-3-22-11-14(9-19-22)12-23-13-15(10-20-23)21-18(24)16-7-5-6-8-17(16)25-4-2/h5-11,13H,3-4,12H2,1-2H3,(H,21,24)
InChIKeyFFWLXCPBPVXEMS-UHFFFAOYSA-N
XLogP2.80
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340031
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290746
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638
2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19338545
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 19340083
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410106
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340160
1-(1-benzylpyrazol-4-yl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 19445863
1-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-[(1-ethylpyrazol-4-yl)methyl]thiourea
CID 19344221
2-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 836714

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide (CID 19340226) is 2-ethoxy-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide is CCOc1ccccc1C(=O)Nc1cnn(Cc2cnn(CC)c2)c1.
What is the InChIKey of 2-ethoxy-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is FFWLXCPBPVXEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-3-22-11-14(9-19-22)12-23-13-15(10-20-23)21-18(24)16-7-5-6-8-17(16)25-4-2/h5-11,13H,3-4,12H2,1-2H3,(H,21,24).
What are the key properties of 2-ethoxy-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide?
2-ethoxy-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 339.40 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19340226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).