N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

C16H20N4O2 — CID 135473308

IUPACN-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C\c2cc(C(C)(C)C)ccc2O)n[nH]1
InChIInChI=1S/C16H20N4O2/c1-10-7-13(19-18-10)15(22)20-17-9-11-8-12(16(2,3)4)5-6-14(11)21/h5-9,21H,1-4H3,(H,18,19)(H,20,22)/b17-9-
InChIKeyBLPFHMRYVOTVPQ-MFOYZWKCSA-N
MW300.36 g/mol
LogP2.49
Rot. Bonds3

About N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 135473308) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID135473308
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C\c2cc(C(C)(C)C)ccc2O)n[nH]1
InChIInChI=1S/C16H20N4O2/c1-10-7-13(19-18-10)15(22)20-17-9-11-8-12(16(2,3)4)5-6-14(11)21/h5-9,21H,1-4H3,(H,18,19)(H,20,22)/b17-9-
InChIKeyBLPFHMRYVOTVPQ-MFOYZWKCSA-N
XLogP2.49
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.49
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

N'-[(2-hydroxynaphthalen-1-yl)methylidene]-3-(naphthalen-2-yl)-1H-pyrazole-5-carbohydrazide
CID 135515522
4-bromo-N'-(2-hydroxy-5-methylbenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135459549
N'-[(E)-(2-methoxynaphthalen-1-yl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 5344275
(E)-N'-((2-hydroxynaphthalen-1-yl)methylene)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 135458722
N-benzyl-5-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
CID 1845769
(5E)-N-benzyl-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide
CID 1858274
3-tert-butyl-N'-(2,4-dihydroxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135411687
N'-((1E)-{2-hydroxy-5-[(E)-phenyldiazenyl]phenyl}methylene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135497974
N'-[(Z)-(3,5-DI-Tert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135693595
(E)-3-cyclopropyl-N'-(4-hydroxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135457660
N-[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1H-pyrazole-5-carboxamide
CID 135400494
N'-[(2-hydroxy-1-naphthyl)methylene]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 135411740

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (CID 135473308) is N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N/N=C\c2cc(C(C)(C)C)ccc2O)n[nH]1.
What is the InChIKey of N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is BLPFHMRYVOTVPQ-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-7-13(19-18-10)15(22)20-17-9-11-8-12(16(2,3)4)5-6-14(11)21/h5-9,21H,1-4H3,(H,18,19)(H,20,22)/b17-9-.
What are the key properties of N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135473308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).