N-(1H-pyrazol-4-ylmethyl)propanamide

C7H11N3O — CID 60755521

IUPACN-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCCC(=O)NCc1cn[nH]c1
InChIInChI=1S/C7H11N3O/c1-2-7(11)8-3-6-4-9-10-5-6/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)
InChIKeyCHOJHOHTIUTJBR-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.44
Rot. Bonds3

About N-(1H-pyrazol-4-ylmethyl)propanamide

N-(1H-pyrazol-4-ylmethyl)propanamide (PubChem CID 60755521) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)propanamide
PubChem CID60755521
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC NameN-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCCC(=O)NCc1cn[nH]c1
InChIInChI=1S/C7H11N3O/c1-2-7(11)8-3-6-4-9-10-5-6/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)
InChIKeyCHOJHOHTIUTJBR-UHFFFAOYSA-N
XLogP0.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)propanamide?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)propanamide (CID 60755521) is N-(1H-pyrazol-4-ylmethyl)propanamide.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)propanamide?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)propanamide is CCC(=O)NCc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)propanamide?
The InChIKey is CHOJHOHTIUTJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-7(11)8-3-6-4-9-10-5-6/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)propanamide?
N-(1H-pyrazol-4-ylmethyl)propanamide has a molecular weight of 153.19 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)propanamide is sourced from PubChem (CID 60755521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).