1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]pyrazole-3-carboxamide

C13H17N5O2 — CID 64783006

IUPAC1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCC(C)COc1nc(-n2ccc(C(N)=O)n2)ccc1N
InChIInChI=1S/C13H17N5O2/c1-8(2)7-20-13-9(14)3-4-11(16-13)18-6-5-10(17-18)12(15)19/h3-6,8H,7,14H2,1-2H3,(H2,15,19)
InChIKeyGXTDVPDYCWTANF-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.98
Rot. Bonds5

About 1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]pyrazole-3-carboxamide

1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]pyrazole-3-carboxamide (PubChem CID 64783006) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]pyrazole-3-carboxamide
PubChem CID64783006
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCC(C)COc1nc(-n2ccc(C(N)=O)n2)ccc1N
InChIInChI=1S/C13H17N5O2/c1-8(2)7-20-13-9(14)3-4-11(16-13)18-6-5-10(17-18)12(15)19/h3-6,8H,7,14H2,1-2H3,(H2,15,19)
InChIKeyGXTDVPDYCWTANF-UHFFFAOYSA-N
XLogP0.98
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]pyrazole-3-carboxamide (CID 64783006) is 1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]pyrazole-3-carboxamide is CC(C)COc1nc(-n2ccc(C(N)=O)n2)ccc1N.
What is the InChIKey of 1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is GXTDVPDYCWTANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8(2)7-20-13-9(14)3-4-11(16-13)18-6-5-10(17-18)12(15)19/h3-6,8H,7,14H2,1-2H3,(H2,15,19).
What are the key properties of 1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]pyrazole-3-carboxamide?
1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-6-(2-methylpropoxy)-2-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 64783006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).