3-(1-ethyl-5-formamido-3-methylpyrazol-4-yl)propanamide

C10H16N4O2 — CID 57176094

IUPAC3-(1-ethyl-5-formamido-3-methylpyrazol-4-yl)propanamide
SMILESCCn1nc(C)c(CCC(N)=O)c1NC=O
InChIInChI=1S/C10H16N4O2/c1-3-14-10(12-6-15)8(7(2)13-14)4-5-9(11)16/h6H,3-5H2,1-2H3,(H2,11,16)(H,12,15)
InChIKeyVJRPGBCMYQGZJN-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.20
Rot. Bonds6

About 3-(1-ethyl-5-formamido-3-methylpyrazol-4-yl)propanamide

3-(1-ethyl-5-formamido-3-methylpyrazol-4-yl)propanamide (PubChem CID 57176094) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(1-ethyl-5-formamido-3-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(1-ethyl-5-formamido-3-methylpyrazol-4-yl)propanamide
PubChem CID57176094
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-(1-ethyl-5-formamido-3-methylpyrazol-4-yl)propanamide
SMILESCCn1nc(C)c(CCC(N)=O)c1NC=O
InChIInChI=1S/C10H16N4O2/c1-3-14-10(12-6-15)8(7(2)13-14)4-5-9(11)16/h6H,3-5H2,1-2H3,(H2,11,16)(H,12,15)
InChIKeyVJRPGBCMYQGZJN-UHFFFAOYSA-N
XLogP0.20
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-5-formamido-3-methylpyrazol-4-yl)propanamide?
The IUPAC name of 3-(1-ethyl-5-formamido-3-methylpyrazol-4-yl)propanamide (CID 57176094) is 3-(1-ethyl-5-formamido-3-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(1-ethyl-5-formamido-3-methylpyrazol-4-yl)propanamide?
The canonical SMILES for 3-(1-ethyl-5-formamido-3-methylpyrazol-4-yl)propanamide is CCn1nc(C)c(CCC(N)=O)c1NC=O.
What is the InChIKey of 3-(1-ethyl-5-formamido-3-methylpyrazol-4-yl)propanamide?
The InChIKey is VJRPGBCMYQGZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-14-10(12-6-15)8(7(2)13-14)4-5-9(11)16/h6H,3-5H2,1-2H3,(H2,11,16)(H,12,15).
What are the key properties of 3-(1-ethyl-5-formamido-3-methylpyrazol-4-yl)propanamide?
3-(1-ethyl-5-formamido-3-methylpyrazol-4-yl)propanamide has a molecular weight of 224.26 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-5-formamido-3-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 57176094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).