4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide

C14H18N4O2 — CID 65358055

IUPAC4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(C)Cc2ccccc2O)n1
InChIInChI=1S/C14H18N4O2/c1-3-18-9-11(15)13(16-18)14(20)17(2)8-10-6-4-5-7-12(10)19/h4-7,9,19H,3,8,15H2,1-2H3
InChIKeyFCIOXQCHQRZKQY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.46
Rot. Bonds4

About 4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide

4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide (PubChem CID 65358055) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide
PubChem CID65358055
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(C)Cc2ccccc2O)n1
InChIInChI=1S/C14H18N4O2/c1-3-18-9-11(15)13(16-18)14(20)17(2)8-10-6-4-5-7-12(10)19/h4-7,9,19H,3,8,15H2,1-2H3
InChIKeyFCIOXQCHQRZKQY-UHFFFAOYSA-N
XLogP1.46
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N,1-diethyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide
CID 65357893
4-amino-1-ethyl-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide
CID 65359090
4-amino-1-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide
CID 79476461
4-amino-1-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide
CID 65357912
4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 65358594
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 65357964
ethyl 3-[(4-amino-1-ethylpyrazole-3-carbonyl)-methylamino]propanoate
CID 65358214
4-amino-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide
CID 114946837
4-amino-1-ethyl-N-methyl-N-pyridin-3-ylpyrazole-3-carboxamide
CID 65363090
4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 65358130
4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide
CID 65358116
4-amino-N-benzyl-N-(cyanomethyl)-1-ethylpyrazole-3-carboxamide
CID 65357821

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide (CID 65358055) is 4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide is CCn1cc(N)c(C(=O)N(C)Cc2ccccc2O)n1.
What is the InChIKey of 4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is FCIOXQCHQRZKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-18-9-11(15)13(16-18)14(20)17(2)8-10-6-4-5-7-12(10)19/h4-7,9,19H,3,8,15H2,1-2H3.
What are the key properties of 4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide?
4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65358055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).