5-tert-butyl-N-propan-2-yl-1H-pyrazole-3-carboxamide

C11H19N3O — CID 53017377

IUPAC5-tert-butyl-N-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)NC(=O)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C11H19N3O/c1-7(2)12-10(15)8-6-9(14-13-8)11(3,4)5/h6-7H,1-5H3,(H,12,15)(H,13,14)
InChIKeyYGQSEKWPFIZAJP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.85
Rot. Bonds2

About 5-tert-butyl-N-propan-2-yl-1H-pyrazole-3-carboxamide

5-tert-butyl-N-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 53017377) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-tert-butyl-N-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID53017377
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-tert-butyl-N-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)NC(=O)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C11H19N3O/c1-7(2)12-10(15)8-6-9(14-13-8)11(3,4)5/h6-7H,1-5H3,(H,12,15)(H,13,14)
InChIKeyYGQSEKWPFIZAJP-UHFFFAOYSA-N
XLogP1.85
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-propan-2-yl-1H-pyrazole-3-carboxamide (CID 53017377) is 5-tert-butyl-N-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)NC(=O)c1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 5-tert-butyl-N-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is YGQSEKWPFIZAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(2)12-10(15)8-6-9(14-13-8)11(3,4)5/h6-7H,1-5H3,(H,12,15)(H,13,14).
What are the key properties of 5-tert-butyl-N-propan-2-yl-1H-pyrazole-3-carboxamide?
5-tert-butyl-N-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 53017377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).