N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide

C13H16N4O — CID 62918927

IUPACN-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide
SMILESCC(N)c1ccccc1NC(=O)c1ccnn1C
InChIInChI=1S/C13H16N4O/c1-9(14)10-5-3-4-6-11(10)16-13(18)12-7-8-15-17(12)2/h3-9H,14H2,1-2H3,(H,16,18)
InChIKeyPREJDPPEFHYTEF-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.69
Rot. Bonds3

About N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide

N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide (PubChem CID 62918927) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide
PubChem CID62918927
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide
SMILESCC(N)c1ccccc1NC(=O)c1ccnn1C
InChIInChI=1S/C13H16N4O/c1-9(14)10-5-3-4-6-11(10)16-13(18)12-7-8-15-17(12)2/h3-9H,14H2,1-2H3,(H,16,18)
InChIKeyPREJDPPEFHYTEF-UHFFFAOYSA-N
XLogP1.69
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide (CID 62918927) is N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide is CC(N)c1ccccc1NC(=O)c1ccnn1C.
What is the InChIKey of N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is PREJDPPEFHYTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(14)10-5-3-4-6-11(10)16-13(18)12-7-8-15-17(12)2/h3-9H,14H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide?
N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 62918927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).