3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide

C13H16N4O — CID 114251301

IUPAC3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide
SMILESCCn1ccc(NC(=O)c2cccc(N)c2C)n1
InChIInChI=1S/C13H16N4O/c1-3-17-8-7-12(16-17)15-13(18)10-5-4-6-11(14)9(10)2/h4-8H,3,14H2,1-2H3,(H,15,16,18)
InChIKeyWROFQJPFJBFAIG-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.05
Rot. Bonds3

About 3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide

3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide (PubChem CID 114251301) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide
PubChem CID114251301
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide
SMILESCCn1ccc(NC(=O)c2cccc(N)c2C)n1
InChIInChI=1S/C13H16N4O/c1-3-17-8-7-12(16-17)15-13(18)10-5-4-6-11(14)9(10)2/h4-8H,3,14H2,1-2H3,(H,15,16,18)
InChIKeyWROFQJPFJBFAIG-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
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

N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114251339
5-amino-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-4-carboxamide
CID 114252333
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide
CID 119946927
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride
CID 119946926
3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097735
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 107461918
3-amino-N-[4-(diethylamino)phenyl]-2-methylbenzamide
CID 28723308
2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide
CID 35286238
N-(1-ethylpyrazol-3-yl)pyridine-3-carboxamide
CID 35286222
6-amino-3-chloro-N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 114252338
N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide
CID 114252349

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide?
The IUPAC name of 3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide (CID 114251301) is 3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide?
The canonical SMILES for 3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide is CCn1ccc(NC(=O)c2cccc(N)c2C)n1.
What is the InChIKey of 3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide?
The InChIKey is WROFQJPFJBFAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-17-8-7-12(16-17)15-13(18)10-5-4-6-11(14)9(10)2/h4-8H,3,14H2,1-2H3,(H,15,16,18).
What are the key properties of 3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide?
3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide has a molecular weight of 244.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide is sourced from PubChem (CID 114251301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).