N-[2-(4-aminophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide

C15H20N4O2 — CID 66127388

IUPACN-[2-(4-aminophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCC(O)c1ccc(N)cc1
InChIInChI=1S/C15H20N4O2/c1-3-19-13(8-10(2)18-19)15(21)17-9-14(20)11-4-6-12(16)7-5-11/h4-8,14,20H,3,9,16H2,1-2H3,(H,17,21)
InChIKeyDITIUSMVRNBLMV-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.26
Rot. Bonds5

About N-[2-(4-aminophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide

N-[2-(4-aminophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 66127388) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID66127388
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCC(O)c1ccc(N)cc1
InChIInChI=1S/C15H20N4O2/c1-3-19-13(8-10(2)18-19)15(21)17-9-14(20)11-4-6-12(16)7-5-11/h4-8,14,20H,3,9,16H2,1-2H3,(H,17,21)
InChIKeyDITIUSMVRNBLMV-UHFFFAOYSA-N
XLogP1.26
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 110931263
2-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide
CID 111566211
2-ethyl-N-(4-hydroxy-2-methylpentyl)-5-methylpyrazole-3-carboxamide
CID 111447589
2-ethyl-N-(3-hydroxy-2-methylpropyl)-5-methylpyrazole-3-carboxamide
CID 66122042
N-[3-(dimethylamino)-2-hydroxypropyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 110281351
2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide
CID 66120282
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104669133
N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114146447
N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113156
N-[2-(4-aminophenyl)-2-hydroxyethyl]acetamide
CID 43461402
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate
CID 66122439
N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66121273

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide (CID 66127388) is N-[2-(4-aminophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NCC(O)c1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is DITIUSMVRNBLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-19-13(8-10(2)18-19)15(21)17-9-14(20)11-4-6-12(16)7-5-11/h4-8,14,20H,3,9,16H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(4-aminophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide?
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 66127388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).