N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide

C13H16N4O — CID 43662428

IUPACN-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2ccn[nH]2)c1
InChIInChI=1S/C13H16N4O/c1-2-13(18)16-11-5-3-4-10(8-11)14-9-12-6-7-15-17-12/h3-8,14H,2,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyRIQXUXYRXYWWGB-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.37
Rot. Bonds5

About N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide

N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide (PubChem CID 43662428) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide
PubChem CID43662428
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2ccn[nH]2)c1
InChIInChI=1S/C13H16N4O/c1-2-13(18)16-11-5-3-4-10(8-11)14-9-12-6-7-15-17-12/h3-8,14H,2,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyRIQXUXYRXYWWGB-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide
CID 43680780
2-pyrazol-1-yl-N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide
CID 71913696
N-[3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 28662122
N-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]propanamide
CID 54881184
N-(3-acetamidophenyl)-3-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide
CID 91844009
N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide
CID 28661898
N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
CID 62357401
N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide
CID 28661897
3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
CID 43662319
N-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide
CID 60980258
N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide
CID 28661932
N-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide
CID 54862737

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide?
The IUPAC name of N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide (CID 43662428) is N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide.
What is the SMILES notation for N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide?
The canonical SMILES for N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide is CCC(=O)Nc1cccc(NCc2ccn[nH]2)c1.
What is the InChIKey of N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide?
The InChIKey is RIQXUXYRXYWWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-13(18)16-11-5-3-4-10(8-11)14-9-12-6-7-15-17-12/h3-8,14H,2,9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide?
N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide has a molecular weight of 244.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide is sourced from PubChem (CID 43662428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).