N-(3-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide

C14H18N4O2 — CID 66120952

IUPACN-(3-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(OC)c(N)c2)n(C)n1
InChIInChI=1S/C14H18N4O2/c1-4-9-8-12(18(2)17-9)14(19)16-10-5-6-13(20-3)11(15)7-10/h5-8H,4,15H2,1-3H3,(H,16,19)
InChIKeyRLMLZNCSSUCTTG-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.83
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide

N-(3-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66120952) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66120952
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(3-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(OC)c(N)c2)n(C)n1
InChIInChI=1S/C14H18N4O2/c1-4-9-8-12(18(2)17-9)14(19)16-10-5-6-13(20-3)11(15)7-10/h5-8H,4,15H2,1-3H3,(H,16,19)
InChIKeyRLMLZNCSSUCTTG-UHFFFAOYSA-N
XLogP1.83
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.83
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

N-(2-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119722
N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43599964
N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119915
N-(3-amino-4-methoxyphenyl)-4-ethylbenzamide
CID 43599944
N-(3-amino-4-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210172
N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120934
N-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 112557417
N-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119916
N-(3-carbamothioylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119749
N-(5-amino-2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 104814558
N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide
CID 107971090
3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 66121147

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66120952) is N-(3-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2ccc(OC)c(N)c2)n(C)n1.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is RLMLZNCSSUCTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-9-8-12(18(2)17-9)14(19)16-10-5-6-13(20-3)11(15)7-10/h5-8H,4,15H2,1-3H3,(H,16,19).
What are the key properties of N-(3-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(3-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66120952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).