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

C15H16N4O2 — CID 5422257

IUPACN-[(Z)-(3-methoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCOc1cccc(/C=N\NC(=O)c2n[nH]c3c2CCC3)c1
InChIInChI=1S/C15H16N4O2/c1-21-11-5-2-4-10(8-11)9-16-19-15(20)14-12-6-3-7-13(12)17-18-14/h2,4-5,8-9H,3,6-7H2,1H3,(H,17,18)(H,19,20)/b16-9-
InChIKeyCYGSPJHVGNJQLA-SXGWCWSVSA-N
MW284.32 g/mol
LogP1.67
Rot. Bonds4

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

N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 5422257) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-methoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID5422257
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[(Z)-(3-methoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCOc1cccc(/C=N\NC(=O)c2n[nH]c3c2CCC3)c1
InChIInChI=1S/C15H16N4O2/c1-21-11-5-2-4-10(8-11)9-16-19-15(20)14-12-6-3-7-13(12)17-18-14/h2,4-5,8-9H,3,6-7H2,1H3,(H,17,18)(H,19,20)/b16-9-
InChIKeyCYGSPJHVGNJQLA-SXGWCWSVSA-N
XLogP1.67
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.67
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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Related Compounds

3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 760982
(E)-N'-(2,5-dimethoxybenzylidene)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide
CID 6888521
N'-[(4-methoxyphenyl)acetyl]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 833279
N'-[(E)-(3-methoxyphenyl)methylidene]-4,5-dihydro-1H-benzo[g]indazole-3-carbohydrazide
CID 6862143
(E)-3-cyclopropyl-N'-(3,4-dimethoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 6867422
5-(4-Methoxyphenyl)-1H-pyrazole-3-carboxylic acid hydrazide
CID 801126
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide
CID 5342804
3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carbohydrazide
CID 854342
N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-5-methyl-1H-pyrazole-3-carboxamide
CID 1928873
3-(1-adamantyl)-N'-(3-methoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 5342857
N-[(E)-1-(furan-2-yl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 5396929
N'-(4-methoxybenzoyl)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 711539

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 5422257) is N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is COc1cccc(/C=N\NC(=O)c2n[nH]c3c2CCC3)c1.
What is the InChIKey of N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is CYGSPJHVGNJQLA-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-21-11-5-2-4-10(8-11)9-16-19-15(20)14-12-6-3-7-13(12)17-18-14/h2,4-5,8-9H,3,6-7H2,1H3,(H,17,18)(H,19,20)/b16-9-.
What are the key properties of N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 5422257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).