N-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide

C14H18N4O — CID 112557417

IUPACN-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(C)ccc2N)n(C)n1
InChIInChI=1S/C14H18N4O/c1-4-10-8-13(18(3)17-10)14(19)16-12-7-9(2)5-6-11(12)15/h5-8H,4,15H2,1-3H3,(H,16,19)
InChIKeyNTRHZAXTXBCPHN-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.13
Rot. Bonds3

About N-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide

N-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 112557417) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID112557417
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(C)ccc2N)n(C)n1
InChIInChI=1S/C14H18N4O/c1-4-10-8-13(18(3)17-10)14(19)16-12-7-9(2)5-6-11(12)15/h5-8H,4,15H2,1-3H3,(H,16,19)
InChIKeyNTRHZAXTXBCPHN-UHFFFAOYSA-N
XLogP2.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 112557417) is N-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2cc(C)ccc2N)n(C)n1.
What is the InChIKey of N-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is NTRHZAXTXBCPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-10-8-13(18(3)17-10)14(19)16-12-7-9(2)5-6-11(12)15/h5-8H,4,15H2,1-3H3,(H,16,19).
What are the key properties of N-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 112557417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).