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

C8H13N3O — CID 171522998

IUPACN-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide
SMILESCCC(=O)NCc1cc(C)[nH]n1
InChIInChI=1S/C8H13N3O/c1-3-8(12)9-5-7-4-6(2)10-11-7/h4H,3,5H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyVGNVGMYDOMRECY-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.74
Rot. Bonds3

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

N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide (PubChem CID 171522998) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide
PubChem CID171522998
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide
SMILESCCC(=O)NCc1cc(C)[nH]n1
InChIInChI=1S/C8H13N3O/c1-3-8(12)9-5-7-4-6(2)10-11-7/h4H,3,5H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyVGNVGMYDOMRECY-UHFFFAOYSA-N
XLogP0.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide (CID 171522998) is N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide is CCC(=O)NCc1cc(C)[nH]n1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide?
The InChIKey is VGNVGMYDOMRECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-8(12)9-5-7-4-6(2)10-11-7/h4H,3,5H2,1-2H3,(H,9,12)(H,10,11).
What are the key properties of N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide?
N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide has a molecular weight of 167.21 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 171522998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).