N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

C18H18N4O3S — CID 135547214

IUPACN-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCOc1cc(/C(C)=N/NC(=O)c2cc(-c3ccc(C)s3)[nH]n2)ccc1O
InChIInChI=1S/C18H18N4O3S/c1-10-4-7-17(26-10)13-9-14(21-20-13)18(24)22-19-11(2)12-5-6-15(23)16(8-12)25-3/h4-9,23H,1-3H3,(H,20,21)(H,22,24)/b19-11+
InChIKeyUWTMKPVYBOAKQJ-YBFXNURJSA-N
MW370.43 g/mol
LogP3.31
Rot. Bonds5

About N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 135547214) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID135547214
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCOc1cc(/C(C)=N/NC(=O)c2cc(-c3ccc(C)s3)[nH]n2)ccc1O
InChIInChI=1S/C18H18N4O3S/c1-10-4-7-17(26-10)13-9-14(21-20-13)18(24)22-19-11(2)12-5-6-15(23)16(8-12)25-3/h4-9,23H,1-3H3,(H,20,21)(H,22,24)/b19-11+
InChIKeyUWTMKPVYBOAKQJ-YBFXNURJSA-N
XLogP3.31
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

N-[1-(4-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 1185518
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 51057015
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 6068774
5-(5-methylthiophen-2-yl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 5445595
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 5395124
5-tert-butyl-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 681554
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 7098508
3,4-dichloro-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 4131490
3-(3,4-dimethoxyphenyl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3413332
N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 5392665
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 136791795
4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 135685330

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (CID 135547214) is N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is COc1cc(/C(C)=N/NC(=O)c2cc(-c3ccc(C)s3)[nH]n2)ccc1O.
What is the InChIKey of N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is UWTMKPVYBOAKQJ-YBFXNURJSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-10-4-7-17(26-10)13-9-14(21-20-13)18(24)22-19-11(2)12-5-6-15(23)16(8-12)25-3/h4-9,23H,1-3H3,(H,20,21)(H,22,24)/b19-11+.
What are the key properties of N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135547214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).