2-[2-(4-aminopyrazol-1-yl)ethylamino]benzamide

C12H15N5O — CID 113285991

IUPAC2-[2-(4-aminopyrazol-1-yl)ethylamino]benzamide
SMILESNC(=O)c1ccccc1NCCn1cc(N)cn1
InChIInChI=1S/C12H15N5O/c13-9-7-16-17(8-9)6-5-15-11-4-2-1-3-10(11)12(14)18/h1-4,7-8,15H,5-6,13H2,(H2,14,18)
InChIKeyWSNRLCILMVEWAD-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.68
Rot. Bonds5

About 2-[2-(4-aminopyrazol-1-yl)ethylamino]benzamide

2-[2-(4-aminopyrazol-1-yl)ethylamino]benzamide (PubChem CID 113285991) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-[2-(4-aminopyrazol-1-yl)ethylamino]benzamide.

Molecular Properties

Compound Name2-[2-(4-aminopyrazol-1-yl)ethylamino]benzamide
PubChem CID113285991
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-[2-(4-aminopyrazol-1-yl)ethylamino]benzamide
SMILESNC(=O)c1ccccc1NCCn1cc(N)cn1
InChIInChI=1S/C12H15N5O/c13-9-7-16-17(8-9)6-5-15-11-4-2-1-3-10(11)12(14)18/h1-4,7-8,15H,5-6,13H2,(H2,14,18)
InChIKeyWSNRLCILMVEWAD-UHFFFAOYSA-N
XLogP0.68
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-aminopyrazol-1-yl)ethylamino]benzenesulfonamide
CID 115320081
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide
CID 115319755
N-[2-(4-aminopyrazol-1-yl)ethyl]benzamide
CID 115319572
4-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxamide
CID 133443364
N-[2-(4-aminopyrazol-1-yl)ethyl]pyridin-2-amine
CID 115320029
ethyl 2-[2-(4-aminopyrazol-1-yl)ethylamino]pyridine-3-carboxylate
CID 115320159
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
CID 115319778
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide
CID 115319564
3-(2-carbamoylanilino)propanoate
CID 40564413
2-[3-(ethylamino)propylamino]benzamide
CID 61020118
2-[4-[(2-carbamoylanilino)methyl]triazol-1-yl]acetic acid
CID 115457975
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 115319686

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminopyrazol-1-yl)ethylamino]benzamide?
The IUPAC name of 2-[2-(4-aminopyrazol-1-yl)ethylamino]benzamide (CID 113285991) is 2-[2-(4-aminopyrazol-1-yl)ethylamino]benzamide.
What is the SMILES notation for 2-[2-(4-aminopyrazol-1-yl)ethylamino]benzamide?
The canonical SMILES for 2-[2-(4-aminopyrazol-1-yl)ethylamino]benzamide is NC(=O)c1ccccc1NCCn1cc(N)cn1.
What is the InChIKey of 2-[2-(4-aminopyrazol-1-yl)ethylamino]benzamide?
The InChIKey is WSNRLCILMVEWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-9-7-16-17(8-9)6-5-15-11-4-2-1-3-10(11)12(14)18/h1-4,7-8,15H,5-6,13H2,(H2,14,18).
What are the key properties of 2-[2-(4-aminopyrazol-1-yl)ethylamino]benzamide?
2-[2-(4-aminopyrazol-1-yl)ethylamino]benzamide has a molecular weight of 245.29 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminopyrazol-1-yl)ethylamino]benzamide is sourced from PubChem (CID 113285991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).