N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]propanamide

C13H15N3O — CID 66854523

IUPACN-[[3-(1H-pyrazol-4-yl)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C13H15N3O/c1-2-13(17)14-7-10-4-3-5-11(6-10)12-8-15-16-9-12/h3-6,8-9H,2,7H2,1H3,(H,14,17)(H,15,16)
InChIKeyOBHFUIXGSVDHHM-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.10
Rot. Bonds4

About N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]propanamide

N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]propanamide (PubChem CID 66854523) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[3-(1H-pyrazol-4-yl)phenyl]methyl]propanamide
PubChem CID66854523
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[[3-(1H-pyrazol-4-yl)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C13H15N3O/c1-2-13(17)14-7-10-4-3-5-11(6-10)12-8-15-16-9-12/h3-6,8-9H,2,7H2,1H3,(H,14,17)(H,15,16)
InChIKeyOBHFUIXGSVDHHM-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-5-yl)phenyl]methyl]propanamide
CID 66854704
3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide
CID 11484092
1-phenyl-2-[[3-(1H-pyrazol-4-yl)phenyl]methyl]hydrazine
CID 169386903
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-(1H-indazol-5-ylmethyl)propanamide
CID 165111571
1-[3-(1H-pyrazol-4-yl)phenyl]ethanone
CID 121358272
3-[(propanoylamino)methyl]benzoic acid
CID 20745849
N-[(2S)-1-(cyanomethylamino)-1-oxo-3-[3-(1H-pyrazol-4-yl)phenyl]propan-2-yl]benzamide
CID 45269361
2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]carbamate
CID 164804556
N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate
CID 25061500
3-[(propanoylamino)methyl]benzamide
CID 32636451
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide
CID 59362777

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]propanamide?
The IUPAC name of N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]propanamide (CID 66854523) is N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]propanamide.
What is the SMILES notation for N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]propanamide?
The canonical SMILES for N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]propanamide is CCC(=O)NCc1cccc(-c2cn[nH]c2)c1.
What is the InChIKey of N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]propanamide?
The InChIKey is OBHFUIXGSVDHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-13(17)14-7-10-4-3-5-11(6-10)12-8-15-16-9-12/h3-6,8-9H,2,7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]propanamide?
N-[[3-(1H-pyrazol-4-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-4-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 66854523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).