(4Z)-2-cyclopentyl-4-hydrazinyl-4-hydrazinylidenebutanoic acid;4-(4-methylphenyl)-1H-pyrazole

C19H28N6O2 — CID 144957614

IUPAC(4Z)-2-cyclopentyl-4-hydrazinyl-4-hydrazinylidenebutanoic acid;4-(4-methylphenyl)-1H-pyrazole
SMILESCc1ccc(-c2cn[nH]c2)cc1.N/N=C(/CC(C(=O)O)C1CCCC1)NN
InChIInChI=1S/C10H10N2.C9H18N4O2/c1-8-2-4-9(5-3-8)10-6-11-12-7-10;10-12-8(13-11)5-7(9(14)15)6-3-1-2-4-6/h2-7H,1H3,(H,11,12);6-7H,1-5,10-11H2,(H,12,13)(H,14,15)
InChIKeyISGQANBBGUMQCB-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.39
Rot. Bonds5

About (4Z)-2-cyclopentyl-4-hydrazinyl-4-hydrazinylidenebutanoic acid;4-(4-methylphenyl)-1H-pyrazole

(4Z)-2-cyclopentyl-4-hydrazinyl-4-hydrazinylidenebutanoic acid;4-(4-methylphenyl)-1H-pyrazole (PubChem CID 144957614) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (4Z)-2-cyclopentyl-4-hydrazinyl-4-hydrazinylidenebutanoic acid;4-(4-methylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name(4Z)-2-cyclopentyl-4-hydrazinyl-4-hydrazinylidenebutanoic acid;4-(4-methylphenyl)-1H-pyrazole
PubChem CID144957614
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name(4Z)-2-cyclopentyl-4-hydrazinyl-4-hydrazinylidenebutanoic acid;4-(4-methylphenyl)-1H-pyrazole
SMILESCc1ccc(-c2cn[nH]c2)cc1.N/N=C(/CC(C(=O)O)C1CCCC1)NN
InChIInChI=1S/C10H10N2.C9H18N4O2/c1-8-2-4-9(5-3-8)10-6-11-12-7-10;10-12-8(13-11)5-7(9(14)15)6-3-1-2-4-6/h2-7H,1H3,(H,11,12);6-7H,1-5,10-11H2,(H,12,13)(H,14,15)
InChIKeyISGQANBBGUMQCB-UHFFFAOYSA-N
XLogP2.39
TPSA142.41 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (4Z)-2-cyclopentyl-4-hydrazinyl-4-hydrazinylidenebutanoic acid;4-(4-methylphenyl)-1H-pyrazole?
The IUPAC name of (4Z)-2-cyclopentyl-4-hydrazinyl-4-hydrazinylidenebutanoic acid;4-(4-methylphenyl)-1H-pyrazole (CID 144957614) is (4Z)-2-cyclopentyl-4-hydrazinyl-4-hydrazinylidenebutanoic acid;4-(4-methylphenyl)-1H-pyrazole.
What is the SMILES notation for (4Z)-2-cyclopentyl-4-hydrazinyl-4-hydrazinylidenebutanoic acid;4-(4-methylphenyl)-1H-pyrazole?
The canonical SMILES for (4Z)-2-cyclopentyl-4-hydrazinyl-4-hydrazinylidenebutanoic acid;4-(4-methylphenyl)-1H-pyrazole is Cc1ccc(-c2cn[nH]c2)cc1.N/N=C(/CC(C(=O)O)C1CCCC1)NN.
What is the InChIKey of (4Z)-2-cyclopentyl-4-hydrazinyl-4-hydrazinylidenebutanoic acid;4-(4-methylphenyl)-1H-pyrazole?
The InChIKey is ISGQANBBGUMQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.C9H18N4O2/c1-8-2-4-9(5-3-8)10-6-11-12-7-10;10-12-8(13-11)5-7(9(14)15)6-3-1-2-4-6/h2-7H,1H3,(H,11,12);6-7H,1-5,10-11H2,(H,12,13)(H,14,15).
What are the key properties of (4Z)-2-cyclopentyl-4-hydrazinyl-4-hydrazinylidenebutanoic acid;4-(4-methylphenyl)-1H-pyrazole?
(4Z)-2-cyclopentyl-4-hydrazinyl-4-hydrazinylidenebutanoic acid;4-(4-methylphenyl)-1H-pyrazole has a molecular weight of 372.47 g/mol, XLogP of 2.39, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-cyclopentyl-4-hydrazinyl-4-hydrazinylidenebutanoic acid;4-(4-methylphenyl)-1H-pyrazole is sourced from PubChem (CID 144957614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).