N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-pyrazole-4-carboxamide

C11H16N4O — CID 61258528

IUPACN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCN2CCCC12)c1cn[nH]c1
InChIInChI=1S/C11H16N4O/c16-11(8-6-12-13-7-8)14-9-3-5-15-4-1-2-10(9)15/h6-7,9-10H,1-5H2,(H,12,13)(H,14,16)
InChIKeySCRJPTOFEPBPAH-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.38
Rot. Bonds2

About N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-pyrazole-4-carboxamide

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-pyrazole-4-carboxamide (PubChem CID 61258528) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-pyrazole-4-carboxamide
PubChem CID61258528
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCN2CCCC12)c1cn[nH]c1
InChIInChI=1S/C11H16N4O/c16-11(8-6-12-13-7-8)14-9-3-5-15-4-1-2-10(9)15/h6-7,9-10H,1-5H2,(H,12,13)(H,14,16)
InChIKeySCRJPTOFEPBPAH-UHFFFAOYSA-N
XLogP0.38
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-pyrazole-4-carboxamide (CID 61258528) is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-pyrazole-4-carboxamide is O=C(NC1CCN2CCCC12)c1cn[nH]c1.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is SCRJPTOFEPBPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c16-11(8-6-12-13-7-8)14-9-3-5-15-4-1-2-10(9)15/h6-7,9-10H,1-5H2,(H,12,13)(H,14,16).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-pyrazole-4-carboxamide?
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61258528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).