N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

C16H20N4O2 — CID 119459502

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CC4CCC(C3)N4)n[nH]2)o1
InChIInChI=1S/C16H20N4O2/c1-9-2-5-15(22-9)13-8-14(20-19-13)16(21)18-12-6-10-3-4-11(7-12)17-10/h2,5,8,10-12,17H,3-4,6-7H2,1H3,(H,18,21)(H,19,20)
InChIKeyNVOQGCAZTVJHEC-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.99
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 119459502) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID119459502
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CC4CCC(C3)N4)n[nH]2)o1
InChIInChI=1S/C16H20N4O2/c1-9-2-5-15(22-9)13-8-14(20-19-13)16(21)18-12-6-10-3-4-11(7-12)17-10/h2,5,8,10-12,17H,3-4,6-7H2,1H3,(H,18,21)(H,19,20)
InChIKeyNVOQGCAZTVJHEC-UHFFFAOYSA-N
XLogP1.99
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (CID 119459502) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NC3CC4CCC(C3)N4)n[nH]2)o1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is NVOQGCAZTVJHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-9-2-5-15(22-9)13-8-14(20-19-13)16(21)18-12-6-10-3-4-11(7-12)17-10/h2,5,8,10-12,17H,3-4,6-7H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 119459502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).