N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-pyridin-2-ylpyrazole-1-carboxamide

C15H17N5O — CID 91084532

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-pyridin-2-ylpyrazole-1-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)n1cc(-c2ccccn2)cn1
InChIInChI=1S/C15H17N5O/c21-15(19-14-7-11-4-5-13(14)18-11)20-9-10(8-17-20)12-3-1-2-6-16-12/h1-3,6,8-9,11,13-14,18H,4-5,7H2,(H,19,21)/t11-,13+,14-/m1/s1
InChIKeyOAMIUCUAGMWRKA-KWCYVHTRSA-N
MW283.33 g/mol
LogP1.40
Rot. Bonds2

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-pyridin-2-ylpyrazole-1-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-pyridin-2-ylpyrazole-1-carboxamide (PubChem CID 91084532) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-pyridin-2-ylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-pyridin-2-ylpyrazole-1-carboxamide
PubChem CID91084532
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-pyridin-2-ylpyrazole-1-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)n1cc(-c2ccccn2)cn1
InChIInChI=1S/C15H17N5O/c21-15(19-14-7-11-4-5-13(14)18-11)20-9-10(8-17-20)12-3-1-2-6-16-12/h1-3,6,8-9,11,13-14,18H,4-5,7H2,(H,19,21)/t11-,13+,14-/m1/s1
InChIKeyOAMIUCUAGMWRKA-KWCYVHTRSA-N
XLogP1.40
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-pyridin-2-ylpyrazole-1-carboxamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-pyridin-2-ylpyrazole-1-carboxamide (CID 91084532) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-pyridin-2-ylpyrazole-1-carboxamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-pyridin-2-ylpyrazole-1-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-pyridin-2-ylpyrazole-1-carboxamide is O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)n1cc(-c2ccccn2)cn1.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-pyridin-2-ylpyrazole-1-carboxamide?
The InChIKey is OAMIUCUAGMWRKA-KWCYVHTRSA-N. The full InChI is InChI=1S/C15H17N5O/c21-15(19-14-7-11-4-5-13(14)18-11)20-9-10(8-17-20)12-3-1-2-6-16-12/h1-3,6,8-9,11,13-14,18H,4-5,7H2,(H,19,21)/t11-,13+,14-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-pyridin-2-ylpyrazole-1-carboxamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-pyridin-2-ylpyrazole-1-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-pyridin-2-ylpyrazole-1-carboxamide is sourced from PubChem (CID 91084532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).