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'}

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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).