N-[(Z)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C12H12N4OS — CID 5400005

IUPACN-[(Z)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(N/N=C\c1cccs1)c1n[nH]c2c1CCC2
InChIInChI=1S/C12H12N4OS/c17-12(16-13-7-8-3-2-6-18-8)11-9-4-1-5-10(9)14-15-11/h2-3,6-7H,1,4-5H2,(H,14,15)(H,16,17)/b13-7-
InChIKeyRHTNOJVNXRSZGT-QPEQYQDCSA-N
MW260.32 g/mol
LogP1.72
Rot. Bonds3

About N-[(Z)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[(Z)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 5400005) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is N-[(Z)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID5400005
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC NameN-[(Z)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(N/N=C\c1cccs1)c1n[nH]c2c1CCC2
InChIInChI=1S/C12H12N4OS/c17-12(16-13-7-8-3-2-6-18-8)11-9-4-1-5-10(9)14-15-11/h2-3,6-7H,1,4-5H2,(H,14,15)(H,16,17)/b13-7-
InChIKeyRHTNOJVNXRSZGT-QPEQYQDCSA-N
XLogP1.72
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(Z)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 5400005) is N-[(Z)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(N/N=C\c1cccs1)c1n[nH]c2c1CCC2.
What is the InChIKey of N-[(Z)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is RHTNOJVNXRSZGT-QPEQYQDCSA-N. The full InChI is InChI=1S/C12H12N4OS/c17-12(16-13-7-8-3-2-6-18-8)11-9-4-1-5-10(9)14-15-11/h2-3,6-7H,1,4-5H2,(H,14,15)(H,16,17)/b13-7-.
What are the key properties of N-[(Z)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(Z)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 260.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-thiophen-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 5400005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).