1-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)-5-propan-2-ylpyrazole-3-carboxamide

C15H23N5O — CID 71939814

IUPAC1-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)-5-propan-2-ylpyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)n[nH]1
InChIInChI=1S/C15H23N5O/c1-9(2)12-8-11(19-20(12)15(4,5)6)14(21)16-13-7-10(3)17-18-13/h7-9H,1-6H3,(H2,16,17,18,21)
InChIKeyOGAVYWRAZYRBOP-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.05
Rot. Bonds3

About 1-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)-5-propan-2-ylpyrazole-3-carboxamide

1-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)-5-propan-2-ylpyrazole-3-carboxamide (PubChem CID 71939814) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)-5-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)-5-propan-2-ylpyrazole-3-carboxamide
PubChem CID71939814
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)-5-propan-2-ylpyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)n[nH]1
InChIInChI=1S/C15H23N5O/c1-9(2)12-8-11(19-20(12)15(4,5)6)14(21)16-13-7-10(3)17-18-13/h7-9H,1-6H3,(H2,16,17,18,21)
InChIKeyOGAVYWRAZYRBOP-UHFFFAOYSA-N
XLogP3.05
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)-5-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)-5-propan-2-ylpyrazole-3-carboxamide (CID 71939814) is 1-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)-5-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)-5-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)-5-propan-2-ylpyrazole-3-carboxamide is Cc1cc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)n[nH]1.
What is the InChIKey of 1-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)-5-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is OGAVYWRAZYRBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-9(2)12-8-11(19-20(12)15(4,5)6)14(21)16-13-7-10(3)17-18-13/h7-9H,1-6H3,(H2,16,17,18,21).
What are the key properties of 1-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)-5-propan-2-ylpyrazole-3-carboxamide?
1-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)-5-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)-5-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 71939814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).