2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide

C14H18N4O — CID 61214245

IUPAC2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
SMILESCc1c(C(C)NC(=O)c2ccccc2N)cnn1C
InChIInChI=1S/C14H18N4O/c1-9(12-8-16-18(3)10(12)2)17-14(19)11-6-4-5-7-13(11)15/h4-9H,15H2,1-3H3,(H,17,19)
InChIKeyWDONEOPXQNWXNG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.80
Rot. Bonds3

About 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide

2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide (PubChem CID 61214245) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
PubChem CID61214245
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
SMILESCc1c(C(C)NC(=O)c2ccccc2N)cnn1C
InChIInChI=1S/C14H18N4O/c1-9(12-8-16-18(3)10(12)2)17-14(19)11-6-4-5-7-13(11)15/h4-9H,15H2,1-3H3,(H,17,19)
InChIKeyWDONEOPXQNWXNG-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
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

3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide
CID 78985186
4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119730438
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 135104084
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylfuran-3-carboxamide
CID 43073935
2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119944858
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119293154
6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 66462120
methyl 5-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]thiophene-2-carboxylate
CID 47027987
5-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide
CID 47027992
2-chloro-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5-difluorobenzamide
CID 94802139
2-chloro-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methylsulfanylbenzamide
CID 94805812
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 47027951

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide (CID 61214245) is 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide is Cc1c(C(C)NC(=O)c2ccccc2N)cnn1C.
What is the InChIKey of 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is WDONEOPXQNWXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9(12-8-16-18(3)10(12)2)17-14(19)11-6-4-5-7-13(11)15/h4-9H,15H2,1-3H3,(H,17,19).
What are the key properties of 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide?
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 61214245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).