N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C14H18N6O — CID 6245691

IUPACN-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1nn(C)c(C)c1/C=N\NC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H18N6O/c1-8-11(9(2)20(3)19-8)7-15-18-14(21)13-10-5-4-6-12(10)16-17-13/h7H,4-6H2,1-3H3,(H,16,17)(H,18,21)/b15-7-
InChIKeyHSMLCHCTKJMNIR-CHHVJCJISA-N
MW286.34 g/mol
LogP1.01
Rot. Bonds3

About N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 6245691) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID6245691
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1nn(C)c(C)c1/C=N\NC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H18N6O/c1-8-11(9(2)20(3)19-8)7-15-18-14(21)13-10-5-4-6-12(10)16-17-13/h7H,4-6H2,1-3H3,(H,16,17)(H,18,21)/b15-7-
InChIKeyHSMLCHCTKJMNIR-CHHVJCJISA-N
XLogP1.01
TPSA87.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 6245691) is N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is Cc1nn(C)c(C)c1/C=N\NC(=O)c1n[nH]c2c1CCC2.
What is the InChIKey of N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is HSMLCHCTKJMNIR-CHHVJCJISA-N. The full InChI is InChI=1S/C14H18N6O/c1-8-11(9(2)20(3)19-8)7-15-18-14(21)13-10-5-4-6-12(10)16-17-13/h7H,4-6H2,1-3H3,(H,16,17)(H,18,21)/b15-7-.
What are the key properties of N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 6245691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).