3-cyclopropyl-5-ethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide

C13H21N3O — CID 46743729

IUPAC3-cyclopropyl-5-ethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(C)C)c(C2CC2)nn1C
InChIInChI=1S/C13H21N3O/c1-5-10-11(13(17)14-8(2)3)12(9-6-7-9)15-16(10)4/h8-9H,5-7H2,1-4H3,(H,14,17)
InChIKeyKTPRKZDCYDJWFE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.00
Rot. Bonds4

About 3-cyclopropyl-5-ethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide

3-cyclopropyl-5-ethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 46743729) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-cyclopropyl-5-ethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-5-ethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID46743729
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-cyclopropyl-5-ethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(C)C)c(C2CC2)nn1C
InChIInChI=1S/C13H21N3O/c1-5-10-11(13(17)14-8(2)3)12(9-6-7-9)15-16(10)4/h8-9H,5-7H2,1-4H3,(H,14,17)
InChIKeyKTPRKZDCYDJWFE-UHFFFAOYSA-N
XLogP2.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-ethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-5-ethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide (CID 46743729) is 3-cyclopropyl-5-ethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-5-ethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-5-ethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide is CCc1c(C(=O)NC(C)C)c(C2CC2)nn1C.
What is the InChIKey of 3-cyclopropyl-5-ethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is KTPRKZDCYDJWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-10-11(13(17)14-8(2)3)12(9-6-7-9)15-16(10)4/h8-9H,5-7H2,1-4H3,(H,14,17).
What are the key properties of 3-cyclopropyl-5-ethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide?
3-cyclopropyl-5-ethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-ethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 46743729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).