4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide

C15H20N4O2 — CID 66117385

IUPAC4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)Nc2ccccc2COC)c1N
InChIInChI=1S/C15H20N4O2/c1-4-11-13(16)14(19(2)18-11)15(20)17-12-8-6-5-7-10(12)9-21-3/h5-8H,4,9,16H2,1-3H3,(H,17,20)
InChIKeyXOSANPJVLVHEGP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.96
Rot. Bonds5

About 4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide

4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide (PubChem CID 66117385) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide
PubChem CID66117385
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)Nc2ccccc2COC)c1N
InChIInChI=1S/C15H20N4O2/c1-4-11-13(16)14(19(2)18-11)15(20)17-12-8-6-5-7-10(12)9-21-3/h5-8H,4,9,16H2,1-3H3,(H,17,20)
InChIKeyXOSANPJVLVHEGP-UHFFFAOYSA-N
XLogP1.96
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(2-methoxyethyl)phenyl]-1,3-dimethylpyrazole-5-carboxamide
CID 102903117
4-amino-3-ethyl-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 66123745
4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 102803235
4-amino-3-ethyl-1-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide
CID 66117820
4-amino-3-ethyl-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66123361
4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide
CID 79756140
4-amino-N-(2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66124519
4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide
CID 116812548
4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
CID 107861753
4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 107796820
4-amino-3-ethyl-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
CID 66124158
3-amino-N-(2-ethylphenyl)-1-methylpyrazole-5-carboxamide
CID 122171276

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide (CID 66117385) is 4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)Nc2ccccc2COC)c1N.
What is the InChIKey of 4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is XOSANPJVLVHEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-11-13(16)14(19(2)18-11)15(20)17-12-8-6-5-7-10(12)9-21-3/h5-8H,4,9,16H2,1-3H3,(H,17,20).
What are the key properties of 4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide?
4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66117385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).