N-(1,3-dimethylpyrazol-4-yl)propanamide

C8H13N3O — CID 19346268

IUPACN-(1,3-dimethylpyrazol-4-yl)propanamide
SMILESCCC(=O)Nc1cn(C)nc1C
InChIInChI=1S/C8H13N3O/c1-4-8(12)9-7-5-11(3)10-6(7)2/h5H,4H2,1-3H3,(H,9,12)
InChIKeyCBMASAPHNAZVLH-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.08
Rot. Bonds2

About N-(1,3-dimethylpyrazol-4-yl)propanamide

N-(1,3-dimethylpyrazol-4-yl)propanamide (PubChem CID 19346268) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)propanamide
PubChem CID19346268
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)propanamide
SMILESCCC(=O)Nc1cn(C)nc1C
InChIInChI=1S/C8H13N3O/c1-4-8(12)9-7-5-11(3)10-6(7)2/h5H,4H2,1-3H3,(H,9,12)
InChIKeyCBMASAPHNAZVLH-UHFFFAOYSA-N
XLogP1.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)propanamide (CID 19346268) is N-(1,3-dimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)propanamide is CCC(=O)Nc1cn(C)nc1C.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)propanamide?
The InChIKey is CBMASAPHNAZVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-4-8(12)9-7-5-11(3)10-6(7)2/h5H,4H2,1-3H3,(H,9,12).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)propanamide?
N-(1,3-dimethylpyrazol-4-yl)propanamide has a molecular weight of 167.21 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 19346268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).