4-(5-amino-4-cyanopyrazol-1-yl)-N-(1-azabicyclo[3.2.1]octan-5-yl)benzamide

C18H20N6O — CID 167977948

IUPAC4-(5-amino-4-cyanopyrazol-1-yl)-N-(1-azabicyclo[3.2.1]octan-5-yl)benzamide
SMILESN#Cc1cnn(-c2ccc(C(=O)NC34CCCN(CC3)C4)cc2)c1N
InChIInChI=1S/C18H20N6O/c19-10-14-11-21-24(16(14)20)15-4-2-13(3-5-15)17(25)22-18-6-1-8-23(12-18)9-7-18/h2-5,11H,1,6-9,12,20H2,(H,22,25)
InChIKeyNINDCIHUPCUTEA-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.29
Rot. Bonds3

About 4-(5-amino-4-cyanopyrazol-1-yl)-N-(1-azabicyclo[3.2.1]octan-5-yl)benzamide

4-(5-amino-4-cyanopyrazol-1-yl)-N-(1-azabicyclo[3.2.1]octan-5-yl)benzamide (PubChem CID 167977948) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-(5-amino-4-cyanopyrazol-1-yl)-N-(1-azabicyclo[3.2.1]octan-5-yl)benzamide.

Molecular Properties

Compound Name4-(5-amino-4-cyanopyrazol-1-yl)-N-(1-azabicyclo[3.2.1]octan-5-yl)benzamide
PubChem CID167977948
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name4-(5-amino-4-cyanopyrazol-1-yl)-N-(1-azabicyclo[3.2.1]octan-5-yl)benzamide
SMILESN#Cc1cnn(-c2ccc(C(=O)NC34CCCN(CC3)C4)cc2)c1N
InChIInChI=1S/C18H20N6O/c19-10-14-11-21-24(16(14)20)15-4-2-13(3-5-15)17(25)22-18-6-1-8-23(12-18)9-7-18/h2-5,11H,1,6-9,12,20H2,(H,22,25)
InChIKeyNINDCIHUPCUTEA-UHFFFAOYSA-N
XLogP1.29
TPSA99.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-4-cyanopyrazol-1-yl)-N-(1-azabicyclo[3.2.1]octan-5-yl)benzamide?
The IUPAC name of 4-(5-amino-4-cyanopyrazol-1-yl)-N-(1-azabicyclo[3.2.1]octan-5-yl)benzamide (CID 167977948) is 4-(5-amino-4-cyanopyrazol-1-yl)-N-(1-azabicyclo[3.2.1]octan-5-yl)benzamide.
What is the SMILES notation for 4-(5-amino-4-cyanopyrazol-1-yl)-N-(1-azabicyclo[3.2.1]octan-5-yl)benzamide?
The canonical SMILES for 4-(5-amino-4-cyanopyrazol-1-yl)-N-(1-azabicyclo[3.2.1]octan-5-yl)benzamide is N#Cc1cnn(-c2ccc(C(=O)NC34CCCN(CC3)C4)cc2)c1N.
What is the InChIKey of 4-(5-amino-4-cyanopyrazol-1-yl)-N-(1-azabicyclo[3.2.1]octan-5-yl)benzamide?
The InChIKey is NINDCIHUPCUTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c19-10-14-11-21-24(16(14)20)15-4-2-13(3-5-15)17(25)22-18-6-1-8-23(12-18)9-7-18/h2-5,11H,1,6-9,12,20H2,(H,22,25).
What are the key properties of 4-(5-amino-4-cyanopyrazol-1-yl)-N-(1-azabicyclo[3.2.1]octan-5-yl)benzamide?
4-(5-amino-4-cyanopyrazol-1-yl)-N-(1-azabicyclo[3.2.1]octan-5-yl)benzamide has a molecular weight of 336.40 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-4-cyanopyrazol-1-yl)-N-(1-azabicyclo[3.2.1]octan-5-yl)benzamide is sourced from PubChem (CID 167977948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).