1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide

C13H23N3O — CID 42669808

IUPAC1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cnn(C(C)(C)C)c1C(C)C
InChIInChI=1S/C13H23N3O/c1-7-14-12(17)10-8-15-16(13(4,5)6)11(10)9(2)3/h8-9H,7H2,1-6H3,(H,14,17)
InChIKeyOJAJNPVFBWIOCE-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.51
Rot. Bonds3

About 1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide

1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 42669808) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID42669808
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cnn(C(C)(C)C)c1C(C)C
InChIInChI=1S/C13H23N3O/c1-7-14-12(17)10-8-15-16(13(4,5)6)11(10)9(2)3/h8-9H,7H2,1-6H3,(H,14,17)
InChIKeyOJAJNPVFBWIOCE-UHFFFAOYSA-N
XLogP2.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide (CID 42669808) is 1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide is CCNC(=O)c1cnn(C(C)(C)C)c1C(C)C.
What is the InChIKey of 1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is OJAJNPVFBWIOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-7-14-12(17)10-8-15-16(13(4,5)6)11(10)9(2)3/h8-9H,7H2,1-6H3,(H,14,17).
What are the key properties of 1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide?
1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42669808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).