N-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide

C13H16N4O — CID 43680780

IUPACN-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide
SMILESCCNC(=O)c1cccc(NCc2ccn[nH]2)c1
InChIInChI=1S/C13H16N4O/c1-2-14-13(18)10-4-3-5-11(8-10)15-9-12-6-7-16-17-12/h3-8,15H,2,9H2,1H3,(H,14,18)(H,16,17)
InChIKeySTJMLAOKAVQXPO-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.77
Rot. Bonds5

About N-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide

N-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide (PubChem CID 43680780) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide
PubChem CID43680780
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide
SMILESCCNC(=O)c1cccc(NCc2ccn[nH]2)c1
InChIInChI=1S/C13H16N4O/c1-2-14-13(18)10-4-3-5-11(8-10)15-9-12-6-7-16-17-12/h3-8,15H,2,9H2,1H3,(H,14,18)(H,16,17)
InChIKeySTJMLAOKAVQXPO-UHFFFAOYSA-N
XLogP1.77
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide
CID 43662428
N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide
CID 54976609
N-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide
CID 62758960
N-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide
CID 62760777
N-ethyl-3-(2-methylpropylamino)benzamide
CID 43680721
N-ethyl-3-(prop-2-ynylamino)benzamide
CID 60681699
3-acetamido-N-ethylbenzamide
CID 17230670
3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide
CID 66385538
3-[(5-bromothiophen-3-yl)methylamino]-N-ethylbenzamide
CID 43680774
3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide
CID 106816302
2-pyrazol-1-yl-N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide
CID 71913696
2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide
CID 54865163

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide?
The IUPAC name of N-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide (CID 43680780) is N-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide.
What is the SMILES notation for N-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide?
The canonical SMILES for N-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide is CCNC(=O)c1cccc(NCc2ccn[nH]2)c1.
What is the InChIKey of N-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide?
The InChIKey is STJMLAOKAVQXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-14-13(18)10-4-3-5-11(8-10)15-9-12-6-7-16-17-12/h3-8,15H,2,9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of N-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide?
N-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide has a molecular weight of 244.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide is sourced from PubChem (CID 43680780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).