N-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide

C15H20N4O — CID 66121882

IUPACN-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)Cc2ccccc2N)n(C)n1
InChIInChI=1S/C15H20N4O/c1-4-12-9-14(19(3)17-12)15(20)18(2)10-11-7-5-6-8-13(11)16/h5-9H,4,10,16H2,1-3H3
InChIKeyIXJXJJANYPTWLZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.84
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide

N-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 66121882) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
PubChem CID66121882
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)Cc2ccccc2N)n(C)n1
InChIInChI=1S/C15H20N4O/c1-4-12-9-14(19(3)17-12)15(20)18(2)10-11-7-5-6-8-13(11)16/h5-9H,4,10,16H2,1-3H3
InChIKeyIXJXJJANYPTWLZ-UHFFFAOYSA-N
XLogP1.84
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 66126875
N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 66122074
N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119915
N-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66120573
3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide
CID 113499792
N-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide
CID 104669113
N-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121687
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410
N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide
CID 107999875
3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 66122498
N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (CID 66121882) is N-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is CCc1cc(C(=O)N(C)Cc2ccccc2N)n(C)n1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is IXJXJJANYPTWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-12-9-14(19(3)17-12)15(20)18(2)10-11-7-5-6-8-13(11)16/h5-9H,4,10,16H2,1-3H3.
What are the key properties of N-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
N-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66121882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).