N-[(E)-4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C16H19N5O — CID 135519116

IUPACN-[(E)-4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1cc2c([nH]1)CCCC2)c1n[nH]c2c1CCC2
InChIInChI=1S/C16H19N5O/c22-16(15-12-5-3-7-14(12)19-20-15)21-17-9-11-8-10-4-1-2-6-13(10)18-11/h8-9,18H,1-7H2,(H,19,20)(H,21,22)/b17-9+
InChIKeyUIMIZNCMPUJXGP-RQZCQDPDSA-N
MW297.36 g/mol
LogP1.87
Rot. Bonds3

About N-[(E)-4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[(E)-4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 135519116) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(E)-4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID135519116
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[(E)-4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1cc2c([nH]1)CCCC2)c1n[nH]c2c1CCC2
InChIInChI=1S/C16H19N5O/c22-16(15-12-5-3-7-14(12)19-20-15)21-17-9-11-8-10-4-1-2-6-13(10)18-11/h8-9,18H,1-7H2,(H,19,20)(H,21,22)/b17-9+
InChIKeyUIMIZNCMPUJXGP-RQZCQDPDSA-N
XLogP1.87
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 135519116) is N-[(E)-4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(N/N=C/c1cc2c([nH]1)CCCC2)c1n[nH]c2c1CCC2.
What is the InChIKey of N-[(E)-4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is UIMIZNCMPUJXGP-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H19N5O/c22-16(15-12-5-3-7-14(12)19-20-15)21-17-9-11-8-10-4-1-2-6-13(10)18-11/h8-9,18H,1-7H2,(H,19,20)(H,21,22)/b17-9+.
What are the key properties of N-[(E)-4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(E)-4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 135519116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).