N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide

C17H23N3O3 — CID 19474027

IUPACN-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cnn(C)c2C)cc1OCC
InChIInChI=1S/C17H23N3O3/c1-5-22-15-8-7-13(9-16(15)23-6-2)10-18-17(21)14-11-19-20(4)12(14)3/h7-9,11H,5-6,10H2,1-4H3,(H,18,21)
InChIKeyOWLMVJLCQMWJMM-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.46
Rot. Bonds7

About N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide

N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 19474027) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID19474027
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cnn(C)c2C)cc1OCC
InChIInChI=1S/C17H23N3O3/c1-5-22-15-8-7-13(9-16(15)23-6-2)10-18-17(21)14-11-19-20(4)12(14)3/h7-9,11H,5-6,10H2,1-4H3,(H,18,21)
InChIKeyOWLMVJLCQMWJMM-UHFFFAOYSA-N
XLogP2.46
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 51305032
1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide
CID 51090455
5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 60573967
N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 5154058
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19282116
N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715734
N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide
CID 100629145
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 76932662
N-[(3,4-diethoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477619
1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 87047264
4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide
CID 19263382
2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide
CID 19537609

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide (CID 19474027) is N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide is CCOc1ccc(CNC(=O)c2cnn(C)c2C)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is OWLMVJLCQMWJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-5-22-15-8-7-13(9-16(15)23-6-2)10-18-17(21)14-11-19-20(4)12(14)3/h7-9,11H,5-6,10H2,1-4H3,(H,18,21).
What are the key properties of N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide?
N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19474027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).