N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide

C15H20N4O2 — CID 66122074

IUPACN-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(CCO)c2ccccc2N)n(C)n1
InChIInChI=1S/C15H20N4O2/c1-3-11-10-14(18(2)17-11)15(21)19(8-9-20)13-7-5-4-6-12(13)16/h4-7,10,20H,3,8-9,16H2,1-2H3
InChIKeyLSQCEBXJRSOAPZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.20
Rot. Bonds5

About N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide

N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide (PubChem CID 66122074) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
PubChem CID66122074
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(CCO)c2ccccc2N)n(C)n1
InChIInChI=1S/C15H20N4O2/c1-3-11-10-14(18(2)17-11)15(21)19(8-9-20)13-7-5-4-6-12(13)16/h4-7,10,20H,3,8-9,16H2,1-2H3
InChIKeyLSQCEBXJRSOAPZ-UHFFFAOYSA-N
XLogP1.20
TPSA84.38 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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 66122498
N-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66121882
3-ethyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 66121727
N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801123
N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119915
N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 43547822
N-(2-aminophenyl)-N-(2-hydroxyethyl)propanamide
CID 43547811
N-(2-aminophenyl)-N-ethyl-3-methylimidazole-4-carboxamide
CID 103510324
N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 79986014
N-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121687
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
N-(2-bromoethyl)-N,3-diethyl-1-methylpyrazole-5-carboxamide
CID 80661046

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide (CID 66122074) is N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)N(CCO)c2ccccc2N)n(C)n1.
What is the InChIKey of N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is LSQCEBXJRSOAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-11-10-14(18(2)17-11)15(21)19(8-9-20)13-7-5-4-6-12(13)16/h4-7,10,20H,3,8-9,16H2,1-2H3.
What are the key properties of N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide?
N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66122074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).