3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide

C11H16N6O — CID 104616407

IUPAC3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cc(N)n[nH]2)n[nH]1
InChIInChI=1S/C11H16N6O/c1-11(2,3)7-5-9(17-15-7)13-10(18)6-4-8(12)16-14-6/h4-5H,1-3H3,(H3,12,14,16)(H2,13,15,17,18)
InChIKeyASMSEKIOIFGKHW-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.26
Rot. Bonds2

About 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide

3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide (PubChem CID 104616407) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
PubChem CID104616407
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cc(N)n[nH]2)n[nH]1
InChIInChI=1S/C11H16N6O/c1-11(2,3)7-5-9(17-15-7)13-10(18)6-4-8(12)16-14-6/h4-5H,1-3H3,(H3,12,14,16)(H2,13,15,17,18)
InChIKeyASMSEKIOIFGKHW-UHFFFAOYSA-N
XLogP1.26
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide (CID 104616407) is 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide is CC(C)(C)c1cc(NC(=O)c2cc(N)n[nH]2)n[nH]1.
What is the InChIKey of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is ASMSEKIOIFGKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-11(2,3)7-5-9(17-15-7)13-10(18)6-4-8(12)16-14-6/h4-5H,1-3H3,(H3,12,14,16)(H2,13,15,17,18).
What are the key properties of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide?
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 104616407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).