1-methyl-N-propan-2-yl-3-propoxypyrazole-5-carboxamide

C11H19N3O2 — CID 176998192

IUPAC1-methyl-N-propan-2-yl-3-propoxypyrazole-5-carboxamide
SMILESCCCOc1cc(C(=O)NC(C)C)n(C)n1
InChIInChI=1S/C11H19N3O2/c1-5-6-16-10-7-9(14(4)13-10)11(15)12-8(2)3/h7-8H,5-6H2,1-4H3,(H,12,15)
InChIKeyWUSMPHCBXUKNDP-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.35
Rot. Bonds5

About 1-methyl-N-propan-2-yl-3-propoxypyrazole-5-carboxamide

1-methyl-N-propan-2-yl-3-propoxypyrazole-5-carboxamide (PubChem CID 176998192) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-methyl-N-propan-2-yl-3-propoxypyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-propan-2-yl-3-propoxypyrazole-5-carboxamide
PubChem CID176998192
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-methyl-N-propan-2-yl-3-propoxypyrazole-5-carboxamide
SMILESCCCOc1cc(C(=O)NC(C)C)n(C)n1
InChIInChI=1S/C11H19N3O2/c1-5-6-16-10-7-9(14(4)13-10)11(15)12-8(2)3/h7-8H,5-6H2,1-4H3,(H,12,15)
InChIKeyWUSMPHCBXUKNDP-UHFFFAOYSA-N
XLogP1.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propan-2-yl-3-propoxypyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-propan-2-yl-3-propoxypyrazole-5-carboxamide (CID 176998192) is 1-methyl-N-propan-2-yl-3-propoxypyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-propan-2-yl-3-propoxypyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-propan-2-yl-3-propoxypyrazole-5-carboxamide is CCCOc1cc(C(=O)NC(C)C)n(C)n1.
What is the InChIKey of 1-methyl-N-propan-2-yl-3-propoxypyrazole-5-carboxamide?
The InChIKey is WUSMPHCBXUKNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-6-16-10-7-9(14(4)13-10)11(15)12-8(2)3/h7-8H,5-6H2,1-4H3,(H,12,15).
What are the key properties of 1-methyl-N-propan-2-yl-3-propoxypyrazole-5-carboxamide?
1-methyl-N-propan-2-yl-3-propoxypyrazole-5-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propan-2-yl-3-propoxypyrazole-5-carboxamide is sourced from PubChem (CID 176998192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).