N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carboxamide

C22H24N4O3 — CID 135922105

IUPACN-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccc(OCC(C)C)cc2)n[nH]1)c1ccccc1O
InChIInChI=1S/C22H24N4O3/c1-14(2)13-29-17-10-8-16(9-11-17)19-12-20(25-24-19)22(28)26-23-15(3)18-6-4-5-7-21(18)27/h4-12,14,27H,13H2,1-3H3,(H,24,25)(H,26,28)/b23-15-
InChIKeyMIBTXDHQJKHZJX-HAHDFKILSA-N
MW392.46 g/mol
LogP3.97
Rot. Bonds7

About N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carboxamide

N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 135922105) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID135922105
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccc(OCC(C)C)cc2)n[nH]1)c1ccccc1O
InChIInChI=1S/C22H24N4O3/c1-14(2)13-29-17-10-8-16(9-11-17)19-12-20(25-24-19)22(28)26-23-15(3)18-6-4-5-7-21(18)27/h4-12,14,27H,13H2,1-3H3,(H,24,25)(H,26,28)/b23-15-
InChIKeyMIBTXDHQJKHZJX-HAHDFKILSA-N
XLogP3.97
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-(4-ethoxyphenyl)-N-(1-phenylethylideneamino)-1H-pyrazole-5-carboxamide
CID 687657
3-(2-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 135547180
3-(4-ethoxyphenyl)-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4102387
3-[4-(2-methylpropyl)phenyl]-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 3349069
4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide
CID 4929975
N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135730809
N-[(Z)-1-naphthalen-2-ylethylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6003175
3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide
CID 6143430
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6379565
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6116965
3-(4-fluorophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6382712
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide
CID 46497922

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carboxamide (CID 135922105) is N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carboxamide is C/C(=N/NC(=O)c1cc(-c2ccc(OCC(C)C)cc2)n[nH]1)c1ccccc1O.
What is the InChIKey of N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is MIBTXDHQJKHZJX-HAHDFKILSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14(2)13-29-17-10-8-16(9-11-17)19-12-20(25-24-19)22(28)26-23-15(3)18-6-4-5-7-21(18)27/h4-12,14,27H,13H2,1-3H3,(H,24,25)(H,26,28)/b23-15-.
What are the key properties of N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carboxamide?
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135922105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).