(3aR,6aR)-2-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2,3a-dicarboxamide

C16H26N6O2 — CID 138027854

IUPAC(3aR,6aR)-2-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2,3a-dicarboxamide
SMILESCN(C)CCn1cc(NC(=O)N2C[C@@H]3CCC[C@]3(C(N)=O)C2)cn1
InChIInChI=1S/C16H26N6O2/c1-20(2)6-7-22-10-13(8-18-22)19-15(24)21-9-12-4-3-5-16(12,11-21)14(17)23/h8,10,12H,3-7,9,11H2,1-2H3,(H2,17,23)(H,19,24)/t12-,16-/m0/s1
InChIKeyPALSVROUEOQOOH-LRDDRELGSA-N
MW334.42 g/mol
LogP0.56
Rot. Bonds5

About (3aR,6aR)-2-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2,3a-dicarboxamide

(3aR,6aR)-2-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2,3a-dicarboxamide (PubChem CID 138027854) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (3aR,6aR)-2-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2,3a-dicarboxamide.

Molecular Properties

Compound Name(3aR,6aR)-2-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2,3a-dicarboxamide
PubChem CID138027854
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name(3aR,6aR)-2-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2,3a-dicarboxamide
SMILESCN(C)CCn1cc(NC(=O)N2C[C@@H]3CCC[C@]3(C(N)=O)C2)cn1
InChIInChI=1S/C16H26N6O2/c1-20(2)6-7-22-10-13(8-18-22)19-15(24)21-9-12-4-3-5-16(12,11-21)14(17)23/h8,10,12H,3-7,9,11H2,1-2H3,(H2,17,23)(H,19,24)/t12-,16-/m0/s1
InChIKeyPALSVROUEOQOOH-LRDDRELGSA-N
XLogP0.56
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3aR,6aR)-2-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2,3a-dicarboxamide with MolForge

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Related Compounds

(3aS,6aR)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122052754
tert-butyl N-[[(3R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 95786616
(3aS,6aR)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]methylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122013371
(3aS,6aR)-2-(pyridazin-4-ylcarbamoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122095165
(3aS,6aR)-2-[(3,5-dimethylphenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122073777
4-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 49088558
1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[(2-methylthiolan-2-yl)methyl]urea
CID 71853293
5-(azepan-1-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-oxopentanamide
CID 95744328
(3aS,6aR)-2-[(3,4-dimethylphenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122073465
(3aS,6aR)-2-[(8-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122094303
(3aS,6aR)-2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122086104
(3aS,6aR)-2-[(2-tert-butyl-1,2,4-triazol-3-yl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122092979

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-2-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2,3a-dicarboxamide?
The IUPAC name of (3aR,6aR)-2-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2,3a-dicarboxamide (CID 138027854) is (3aR,6aR)-2-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2,3a-dicarboxamide.
What is the SMILES notation for (3aR,6aR)-2-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2,3a-dicarboxamide?
The canonical SMILES for (3aR,6aR)-2-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2,3a-dicarboxamide is CN(C)CCn1cc(NC(=O)N2C[C@@H]3CCC[C@]3(C(N)=O)C2)cn1.
What is the InChIKey of (3aR,6aR)-2-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2,3a-dicarboxamide?
The InChIKey is PALSVROUEOQOOH-LRDDRELGSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-20(2)6-7-22-10-13(8-18-22)19-15(24)21-9-12-4-3-5-16(12,11-21)14(17)23/h8,10,12H,3-7,9,11H2,1-2H3,(H2,17,23)(H,19,24)/t12-,16-/m0/s1.
What are the key properties of (3aR,6aR)-2-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2,3a-dicarboxamide?
(3aR,6aR)-2-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2,3a-dicarboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-2-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2,3a-dicarboxamide is sourced from PubChem (CID 138027854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).