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

C16H20N4O2 — CID 135879017

IUPAC5-tert-butyl-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
SMILESC/C(=N/NC(=O)c1cc(C(C)(C)C)[nH]n1)c1ccccc1O
InChIInChI=1S/C16H20N4O2/c1-10(11-7-5-6-8-13(11)21)17-20-15(22)12-9-14(19-18-12)16(2,3)4/h5-9,21H,1-4H3,(H,18,19)(H,20,22)/b17-10-
InChIKeyNOJNJBMQHUSUSW-YVLHZVERSA-N
MW300.36 g/mol
LogP2.57
Rot. Bonds3

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

5-tert-butyl-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 135879017) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-tert-butyl-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID135879017
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name5-tert-butyl-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
SMILESC/C(=N/NC(=O)c1cc(C(C)(C)C)[nH]n1)c1ccccc1O
InChIInChI=1S/C16H20N4O2/c1-10(11-7-5-6-8-13(11)21)17-20-15(22)12-9-14(19-18-12)16(2,3)4/h5-9,21H,1-4H3,(H,18,19)(H,20,22)/b17-10-
InChIKeyNOJNJBMQHUSUSW-YVLHZVERSA-N
XLogP2.57
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 ≤ 52.57
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

5-tert-butyl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 135909108
5-tert-butyl-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 681554
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135445579
2-N,5-N-bis[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-2,5-dicarboxamide
CID 135699182
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyrazine-2-carboxamide
CID 135656292
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide
CID 136660084
5-tert-butyl-N-[(2-chlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760685
3-(2-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 135547180
5-tert-butyl-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 5405278

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide (CID 135879017) is 5-tert-butyl-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide is C/C(=N/NC(=O)c1cc(C(C)(C)C)[nH]n1)c1ccccc1O.
What is the InChIKey of 5-tert-butyl-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is NOJNJBMQHUSUSW-YVLHZVERSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10(11-7-5-6-8-13(11)21)17-20-15(22)12-9-14(19-18-12)16(2,3)4/h5-9,21H,1-4H3,(H,18,19)(H,20,22)/b17-10-.
What are the key properties of 5-tert-butyl-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide?
5-tert-butyl-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135879017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).