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

C13H15N3O — CID 66854704

IUPACN-[[3-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C13H15N3O/c1-2-13(17)14-9-10-4-3-5-11(8-10)12-6-7-15-16-12/h3-8H,2,9H2,1H3,(H,14,17)(H,15,16)
InChIKeyVUYBLDAVKMKRRM-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.10
Rot. Bonds4

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

N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]propanamide (PubChem CID 66854704) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[3-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
PubChem CID66854704
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[[3-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C13H15N3O/c1-2-13(17)14-9-10-4-3-5-11(8-10)12-6-7-15-16-12/h3-8H,2,9H2,1H3,(H,14,17)(H,15,16)
InChIKeyVUYBLDAVKMKRRM-UHFFFAOYSA-N
XLogP2.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]propanamide
CID 66854523
N-[[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]ethanamine;2,2,2-trifluoroacetic acid
CID 154891054
1-phenyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
CID 10539500
3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide
CID 11484092
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride
CID 135330870
N-[4-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]phenyl]propanamide
CID 29084327
3-[(propanoylamino)methyl]benzoic acid
CID 20745849
N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate
CID 25061500
3-[(propanoylamino)methyl]benzamide
CID 32636451
ethane;5-[3-(methoxymethyl)phenyl]-1H-pyrazole
CID 163266612
N-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79040356

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]propanamide?
The IUPAC name of N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]propanamide (CID 66854704) is N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]propanamide.
What is the SMILES notation for N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]propanamide?
The canonical SMILES for N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]propanamide is CCC(=O)NCc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]propanamide?
The InChIKey is VUYBLDAVKMKRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-13(17)14-9-10-4-3-5-11(8-10)12-6-7-15-16-12/h3-8H,2,9H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]propanamide?
N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]propanamide has a molecular weight of 229.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 66854704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).