3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C14H18N4O — CID 119863755

IUPAC3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCCN(Cc1cnn(C)c1)C(=O)c1cccc(N)c1
InChIInChI=1S/C14H18N4O/c1-3-18(10-11-8-16-17(2)9-11)14(19)12-5-4-6-13(15)7-12/h4-9H,3,10,15H2,1-2H3
InChIKeyOYBYLASLDJKVBL-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.66
Rot. Bonds4

About 3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 119863755) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID119863755
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCCN(Cc1cnn(C)c1)C(=O)c1cccc(N)c1
InChIInChI=1S/C14H18N4O/c1-3-18(10-11-8-16-17(2)9-11)14(19)12-5-4-6-13(15)7-12/h4-9H,3,10,15H2,1-2H3
InChIKeyOYBYLASLDJKVBL-UHFFFAOYSA-N
XLogP1.66
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.66
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-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide
CID 43459645
3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 54905832
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
N-[(3-aminophenyl)methyl]-N-ethylpyrimidine-5-carboxamide
CID 102921247
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
N-ethyl-N-(furan-3-ylmethyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide
CID 71914810
2-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 119863711
3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 120503339
3-[[(1-methylpyrazol-4-yl)methyl-propylamino]methyl]aniline
CID 55041381
3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
N-[(3-aminophenyl)methyl]-N-ethyl-6-methylpyridine-3-carboxamide
CID 43458991

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 119863755) is 3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is CCN(Cc1cnn(C)c1)C(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is OYBYLASLDJKVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-18(10-11-8-16-17(2)9-11)14(19)12-5-4-6-13(15)7-12/h4-9H,3,10,15H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 119863755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).