N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

C14H18N4O2 — CID 63237930

IUPACN-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCCOc1ccc(N)cc1
InChIInChI=1S/C14H18N4O2/c1-9-13(10(2)18-17-9)14(19)16-7-8-20-12-5-3-11(15)4-6-12/h3-6H,7-8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyKATIHDTWNSBUTF-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.42
Rot. Bonds5

About N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 63237930) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID63237930
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCCOc1ccc(N)cc1
InChIInChI=1S/C14H18N4O2/c1-9-13(10(2)18-17-9)14(19)16-7-8-20-12-5-3-11(15)4-6-12/h3-6H,7-8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyKATIHDTWNSBUTF-UHFFFAOYSA-N
XLogP1.42
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 63237842
N-[2-(4-aminophenoxy)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 63237844
4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide
CID 62379290
2-(4-aminophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 55124971
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978
4-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethoxy]aniline
CID 82474929
N-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide
CID 114343182
N-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide
CID 61031479
N-[2-(4-aminophenoxy)ethyl]-3,5-dibromobenzamide
CID 107971002
N-[2-(4-aminophenoxy)ethyl]-2-methylsulfonylpropanamide
CID 104517296
N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601847

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 63237930) is N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCCOc1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is KATIHDTWNSBUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-13(10(2)18-17-9)14(19)16-7-8-20-12-5-3-11(15)4-6-12/h3-6H,7-8,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63237930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).