2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide

C14H19N5O — CID 119946927

IUPAC2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide
SMILESCN(C)CCn1ccc(NC(=O)c2ccccc2N)n1
InChIInChI=1S/C14H19N5O/c1-18(2)9-10-19-8-7-13(17-19)16-14(20)11-5-3-4-6-12(11)15/h3-8H,9-10,15H2,1-2H3,(H,16,17,20)
InChIKeyIWKRDOWUKMOZRQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.28
Rot. Bonds5

About 2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide

2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide (PubChem CID 119946927) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide
PubChem CID119946927
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide
SMILESCN(C)CCn1ccc(NC(=O)c2ccccc2N)n1
InChIInChI=1S/C14H19N5O/c1-18(2)9-10-19-8-7-13(17-19)16-14(20)11-5-3-4-6-12(11)15/h3-8H,9-10,15H2,1-2H3,(H,16,17,20)
InChIKeyIWKRDOWUKMOZRQ-UHFFFAOYSA-N
XLogP1.28
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride
CID 119946926
8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide
CID 167841166
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenylpropanamide
CID 120596230
3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide
CID 114251301
4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride
CID 120565170
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 166183392
(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide
CID 119870197
7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride
CID 119870128
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 60607724
(2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 95685516
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea
CID 75494374
N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]naphthalene-1-carboxamide
CID 167781776

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide (CID 119946927) is 2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide is CN(C)CCn1ccc(NC(=O)c2ccccc2N)n1.
What is the InChIKey of 2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide?
The InChIKey is IWKRDOWUKMOZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-18(2)9-10-19-8-7-13(17-19)16-14(20)11-5-3-4-6-12(11)15/h3-8H,9-10,15H2,1-2H3,(H,16,17,20).
What are the key properties of 2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide?
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 119946927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).