N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide

C14H13BrN4O2 — CID 135457629

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H13BrN4O2/c15-10-3-4-13(20)9(5-10)7-16-19-14(21)12-6-11(17-18-12)8-1-2-8/h3-8,20H,1-2H2,(H,17,18)(H,19,21)/b16-7+
InChIKeyDFNMQUBKGZRZEN-FRKPEAEDSA-N
MW349.19 g/mol
LogP2.52
Rot. Bonds4

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 135457629) has the molecular formula C14H13BrN4O2 and a molecular weight of 349.19 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID135457629
Molecular FormulaC14H13BrN4O2
Molecular Weight349.19 g/mol
Exact Mass348.02
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H13BrN4O2/c15-10-3-4-13(20)9(5-10)7-16-19-14(21)12-6-11(17-18-12)8-1-2-8/h3-8,20H,1-2H2,(H,17,18)(H,19,21)/b16-7+
InChIKeyDFNMQUBKGZRZEN-FRKPEAEDSA-N
XLogP2.52
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzoic acid 4-bromo-2-[(5-methyl-2H-pyrazole-3-carbonyl)-hydrazonomethyl]-phenyl ester
CID 6872206
(E)-3-cyclopropyl-N'-(4-hydroxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135457660
N'-(4-Hydroxybenzylidene)-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 135659464
N'-(2-hydroxybenzylidene)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 135446731
N'-(2-hydroxy-4-methylbenzylidene)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 135411493
(E)-N'-(3-allyl-2-hydroxybenzylidene)-3-(tert-butyl)-1H-pyrazole-5-carbohydrazide
CID 135411689
N'-(5-Bromo-2-hydroxybenzylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
CID 86261447
N'-(1-(2-Hydroxyphenyl)ethylidene)-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 135641966
N'-[(E)-(2-hydroxyphenyl)methylidene]-3-(4-methylphenyl)-1H-pyrazole-5-carbohydrazide
CID 135519119
3-cyclopropyl-N-[(E)-(2,4-dihydroxyphenyl)methyleneamino]-1H-pyrazole-5-carboxamide
CID 135519131
(5-bromo-2-hydroxyphenyl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 171349114
(E)-N'-(1-(2-hydroxyphenyl)ethylidene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135473318

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 135457629) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide is O=C(N/N=C/c1cc(Br)ccc1O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is DFNMQUBKGZRZEN-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H13BrN4O2/c15-10-3-4-13(20)9(5-10)7-16-19-14(21)12-6-11(17-18-12)8-1-2-8/h3-8,20H,1-2H2,(H,17,18)(H,19,21)/b16-7+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 349.19 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135457629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).