5-ethyl-1-propylpyrazole-3-carboxamide

C9H15N3O — CID 66958288

IUPAC5-ethyl-1-propylpyrazole-3-carboxamide
SMILESCCCn1nc(C(N)=O)cc1CC
InChIInChI=1S/C9H15N3O/c1-3-5-12-7(4-2)6-8(11-12)9(10)13/h6H,3-5H2,1-2H3,(H2,10,13)
InChIKeyAPNNYXBKKFQQQO-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.95
Rot. Bonds4

About 5-ethyl-1-propylpyrazole-3-carboxamide

5-ethyl-1-propylpyrazole-3-carboxamide (PubChem CID 66958288) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-ethyl-1-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-propylpyrazole-3-carboxamide
PubChem CID66958288
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-ethyl-1-propylpyrazole-3-carboxamide
SMILESCCCn1nc(C(N)=O)cc1CC
InChIInChI=1S/C9H15N3O/c1-3-5-12-7(4-2)6-8(11-12)9(10)13/h6H,3-5H2,1-2H3,(H2,10,13)
InChIKeyAPNNYXBKKFQQQO-UHFFFAOYSA-N
XLogP0.95
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-propylpyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-1-propylpyrazole-3-carboxamide (CID 66958288) is 5-ethyl-1-propylpyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-1-propylpyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-1-propylpyrazole-3-carboxamide is CCCn1nc(C(N)=O)cc1CC.
What is the InChIKey of 5-ethyl-1-propylpyrazole-3-carboxamide?
The InChIKey is APNNYXBKKFQQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-5-12-7(4-2)6-8(11-12)9(10)13/h6H,3-5H2,1-2H3,(H2,10,13).
What are the key properties of 5-ethyl-1-propylpyrazole-3-carboxamide?
5-ethyl-1-propylpyrazole-3-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-propylpyrazole-3-carboxamide is sourced from PubChem (CID 66958288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).