N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C12H18N4O — CID 102893114

IUPACN-(5-methyl-1H-pyrazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCc1cc(NC(=O)C2NCC3CCCC32)n[nH]1
InChIInChI=1S/C12H18N4O/c1-7-5-10(16-15-7)14-12(17)11-9-4-2-3-8(9)6-13-11/h5,8-9,11,13H,2-4,6H2,1H3,(H2,14,15,16,17)
InChIKeyDUNFZMLVMINGMK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.04
Rot. Bonds2

About N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102893114) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102893114
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCc1cc(NC(=O)C2NCC3CCCC32)n[nH]1
InChIInChI=1S/C12H18N4O/c1-7-5-10(16-15-7)14-12(17)11-9-4-2-3-8(9)6-13-11/h5,8-9,11,13H,2-4,6H2,1H3,(H2,14,15,16,17)
InChIKeyDUNFZMLVMINGMK-UHFFFAOYSA-N
XLogP1.04
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102893114) is N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is Cc1cc(NC(=O)C2NCC3CCCC32)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is DUNFZMLVMINGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-7-5-10(16-15-7)14-12(17)11-9-4-2-3-8(9)6-13-11/h5,8-9,11,13H,2-4,6H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102893114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).