5-cyclopropyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide

C14H14N4O3 — CID 135519131

IUPAC5-cyclopropyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H14N4O3/c19-10-4-3-9(13(20)5-10)7-15-18-14(21)12-6-11(16-17-12)8-1-2-8/h3-8,19-20H,1-2H2,(H,16,17)(H,18,21)/b15-7+
InChIKeyRHUYPYMXHNDYSC-VIZOYTHASA-N
MW286.29 g/mol
LogP1.46
Rot. Bonds4

About 5-cyclopropyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 135519131) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID135519131
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name5-cyclopropyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H14N4O3/c19-10-4-3-9(13(20)5-10)7-15-18-14(21)12-6-11(16-17-12)8-1-2-8/h3-8,19-20H,1-2H2,(H,16,17)(H,18,21)/b15-7+
InChIKeyRHUYPYMXHNDYSC-VIZOYTHASA-N
XLogP1.46
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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 5-cyclopropyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide (CID 135519131) is 5-cyclopropyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide is O=C(N/N=C/c1ccc(O)cc1O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is RHUYPYMXHNDYSC-VIZOYTHASA-N. The full InChI is InChI=1S/C14H14N4O3/c19-10-4-3-9(13(20)5-10)7-15-18-14(21)12-6-11(16-17-12)8-1-2-8/h3-8,19-20H,1-2H2,(H,16,17)(H,18,21)/b15-7+.
What are the key properties of 5-cyclopropyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135519131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).