1-tert-butylpyrazolo[4,5-h]quinazoline-3-carboxamide

C14H15N5O — CID 57389397

IUPAC1-tert-butylpyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCC(C)(C)n1nc(C(N)=O)c2ccc3cncnc3c21
InChIInChI=1S/C14H15N5O/c1-14(2,3)19-12-9(11(18-19)13(15)20)5-4-8-6-16-7-17-10(8)12/h4-7H,1-3H3,(H2,15,20)
InChIKeyXDERQDSXXASZLS-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.83
Rot. Bonds1

About 1-tert-butylpyrazolo[4,5-h]quinazoline-3-carboxamide

1-tert-butylpyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 57389397) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-tert-butylpyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name1-tert-butylpyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID57389397
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name1-tert-butylpyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCC(C)(C)n1nc(C(N)=O)c2ccc3cncnc3c21
InChIInChI=1S/C14H15N5O/c1-14(2,3)19-12-9(11(18-19)13(15)20)5-4-8-6-16-7-17-10(8)12/h4-7H,1-3H3,(H2,15,20)
InChIKeyXDERQDSXXASZLS-UHFFFAOYSA-N
XLogP1.83
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 1-tert-butylpyrazolo[4,5-h]quinazoline-3-carboxamide (CID 57389397) is 1-tert-butylpyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 1-tert-butylpyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 1-tert-butylpyrazolo[4,5-h]quinazoline-3-carboxamide is CC(C)(C)n1nc(C(N)=O)c2ccc3cncnc3c21.
What is the InChIKey of 1-tert-butylpyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is XDERQDSXXASZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-14(2,3)19-12-9(11(18-19)13(15)20)5-4-8-6-16-7-17-10(8)12/h4-7H,1-3H3,(H2,15,20).
What are the key properties of 1-tert-butylpyrazolo[4,5-h]quinazoline-3-carboxamide?
1-tert-butylpyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 57389397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).