5-amino-3-tert-butyl-1-(1H-indazol-5-yl)pyrazole-4-carboxamide

C15H18N6O — CID 155543479

IUPAC5-amino-3-tert-butyl-1-(1H-indazol-5-yl)pyrazole-4-carboxamide
SMILESCC(C)(C)c1nn(-c2ccc3[nH]ncc3c2)c(N)c1C(N)=O
InChIInChI=1S/C15H18N6O/c1-15(2,3)12-11(14(17)22)13(16)21(20-12)9-4-5-10-8(6-9)7-18-19-10/h4-7H,16H2,1-3H3,(H2,17,22)(H,18,19)
InChIKeyWXTNNVOKKYDXIG-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.73
Rot. Bonds2

About 5-amino-3-tert-butyl-1-(1H-indazol-5-yl)pyrazole-4-carboxamide

5-amino-3-tert-butyl-1-(1H-indazol-5-yl)pyrazole-4-carboxamide (PubChem CID 155543479) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-amino-3-tert-butyl-1-(1H-indazol-5-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-tert-butyl-1-(1H-indazol-5-yl)pyrazole-4-carboxamide
PubChem CID155543479
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name5-amino-3-tert-butyl-1-(1H-indazol-5-yl)pyrazole-4-carboxamide
SMILESCC(C)(C)c1nn(-c2ccc3[nH]ncc3c2)c(N)c1C(N)=O
InChIInChI=1S/C15H18N6O/c1-15(2,3)12-11(14(17)22)13(16)21(20-12)9-4-5-10-8(6-9)7-18-19-10/h4-7H,16H2,1-3H3,(H2,17,22)(H,18,19)
InChIKeyWXTNNVOKKYDXIG-UHFFFAOYSA-N
XLogP1.73
TPSA115.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-tert-butyl-1-(1H-indazol-5-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-tert-butyl-1-(1H-indazol-5-yl)pyrazole-4-carboxamide (CID 155543479) is 5-amino-3-tert-butyl-1-(1H-indazol-5-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-tert-butyl-1-(1H-indazol-5-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-tert-butyl-1-(1H-indazol-5-yl)pyrazole-4-carboxamide is CC(C)(C)c1nn(-c2ccc3[nH]ncc3c2)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-3-tert-butyl-1-(1H-indazol-5-yl)pyrazole-4-carboxamide?
The InChIKey is WXTNNVOKKYDXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-15(2,3)12-11(14(17)22)13(16)21(20-12)9-4-5-10-8(6-9)7-18-19-10/h4-7H,16H2,1-3H3,(H2,17,22)(H,18,19).
What are the key properties of 5-amino-3-tert-butyl-1-(1H-indazol-5-yl)pyrazole-4-carboxamide?
5-amino-3-tert-butyl-1-(1H-indazol-5-yl)pyrazole-4-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-tert-butyl-1-(1H-indazol-5-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 155543479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).