6-amino-N-(1-pyridin-4-ylpyrazol-4-yl)bicyclo[3.2.0]heptane-3-carboxamide

C16H19N5O — CID 138010255

IUPAC6-amino-N-(1-pyridin-4-ylpyrazol-4-yl)bicyclo[3.2.0]heptane-3-carboxamide
SMILESNC1CC2CC(C(=O)Nc3cnn(-c4ccncc4)c3)CC12
InChIInChI=1S/C16H19N5O/c17-15-7-10-5-11(6-14(10)15)16(22)20-12-8-19-21(9-12)13-1-3-18-4-2-13/h1-4,8-11,14-15H,5-7,17H2,(H,20,22)
InChIKeyAUOCCSVIDJAMNG-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.58
Rot. Bonds3

About 6-amino-N-(1-pyridin-4-ylpyrazol-4-yl)bicyclo[3.2.0]heptane-3-carboxamide

6-amino-N-(1-pyridin-4-ylpyrazol-4-yl)bicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 138010255) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-amino-N-(1-pyridin-4-ylpyrazol-4-yl)bicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(1-pyridin-4-ylpyrazol-4-yl)bicyclo[3.2.0]heptane-3-carboxamide
PubChem CID138010255
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name6-amino-N-(1-pyridin-4-ylpyrazol-4-yl)bicyclo[3.2.0]heptane-3-carboxamide
SMILESNC1CC2CC(C(=O)Nc3cnn(-c4ccncc4)c3)CC12
InChIInChI=1S/C16H19N5O/c17-15-7-10-5-11(6-14(10)15)16(22)20-12-8-19-21(9-12)13-1-3-18-4-2-13/h1-4,8-11,14-15H,5-7,17H2,(H,20,22)
InChIKeyAUOCCSVIDJAMNG-UHFFFAOYSA-N
XLogP1.58
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,5S,6R)-6-amino-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]bicyclo[3.2.0]heptane-3-carboxamide
CID 138010246
9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120987708
2-benzyl-N-(1-pyridin-4-ylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 166233965
2,2,2-trifluoro-N-(1-pyridin-4-ylpyrazol-4-yl)acetamide
CID 110470975
N-(1-pyridin-4-ylpyrazol-4-yl)benzamide
CID 110471191
2-(methylamino)-N-(1-pyridin-4-ylpyrazol-4-yl)acetamide
CID 110470511
(2S,4S)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 120639665
6-amino-N-(4-benzyl-1,2,4-triazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide
CID 167809757
(1R,5R,6S)-6-amino-N-(4-chloro-1-ethylpyrazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide
CID 167845722
6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 110472224
N-(1-phenylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119305780
9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986139

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1-pyridin-4-ylpyrazol-4-yl)bicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of 6-amino-N-(1-pyridin-4-ylpyrazol-4-yl)bicyclo[3.2.0]heptane-3-carboxamide (CID 138010255) is 6-amino-N-(1-pyridin-4-ylpyrazol-4-yl)bicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for 6-amino-N-(1-pyridin-4-ylpyrazol-4-yl)bicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for 6-amino-N-(1-pyridin-4-ylpyrazol-4-yl)bicyclo[3.2.0]heptane-3-carboxamide is NC1CC2CC(C(=O)Nc3cnn(-c4ccncc4)c3)CC12.
What is the InChIKey of 6-amino-N-(1-pyridin-4-ylpyrazol-4-yl)bicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is AUOCCSVIDJAMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c17-15-7-10-5-11(6-14(10)15)16(22)20-12-8-19-21(9-12)13-1-3-18-4-2-13/h1-4,8-11,14-15H,5-7,17H2,(H,20,22).
What are the key properties of 6-amino-N-(1-pyridin-4-ylpyrazol-4-yl)bicyclo[3.2.0]heptane-3-carboxamide?
6-amino-N-(1-pyridin-4-ylpyrazol-4-yl)bicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1-pyridin-4-ylpyrazol-4-yl)bicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 138010255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).