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

C15H20N4O — CID 66121687

IUPACN-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(C)c2ccccc2N)n(C)n1
InChIInChI=1S/C15H20N4O/c1-4-11-9-14(19(3)18-11)15(20)17-10(2)12-7-5-6-8-13(12)16/h5-10H,4,16H2,1-3H3,(H,17,20)
InChIKeyXKHITPRIABNQLE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.06
Rot. Bonds4

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

N-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66121687) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66121687
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(C)c2ccccc2N)n(C)n1
InChIInChI=1S/C15H20N4O/c1-4-11-9-14(19(3)18-11)15(20)17-10(2)12-7-5-6-8-13(12)16/h5-10H,4,16H2,1-3H3,(H,17,20)
InChIKeyXKHITPRIABNQLE-UHFFFAOYSA-N
XLogP2.06
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-carboxamide
CID 62920120
N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119915
3-ethyl-N-[2-(1-hydroxyethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 66119763
(2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 66120326
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 77113214
N-[1-(2-aminophenyl)ethyl]propanamide
CID 43297760
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 136558217
N-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 112557417
3-ethyl-1-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
CID 167186137
N-(1-cyanopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120728
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179
3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide
CID 66120747

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66121687) is N-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NC(C)c2ccccc2N)n(C)n1.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is XKHITPRIABNQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-11-9-14(19(3)18-11)15(20)17-10(2)12-7-5-6-8-13(12)16/h5-10H,4,16H2,1-3H3,(H,17,20).
What are the key properties of N-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
N-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66121687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).