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

C18H19N5O3 — CID 135892511

IUPACN-[(Z)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1cc(/C(C)=N\NC(=O)c2cc(-c3cccn3C)n[nH]2)ccc1O
InChIInChI=1S/C18H19N5O3/c1-11(12-6-7-16(24)17(9-12)26-3)19-22-18(25)14-10-13(20-21-14)15-5-4-8-23(15)2/h4-10,24H,1-3H3,(H,20,21)(H,22,25)/b19-11-
InChIKeyKLENZLQYRCLWOI-ODLFYWEKSA-N
MW353.38 g/mol
LogP2.28
Rot. Bonds5

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

N-[(Z)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 135892511) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(Z)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID135892511
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[(Z)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1cc(/C(C)=N\NC(=O)c2cc(-c3cccn3C)n[nH]2)ccc1O
InChIInChI=1S/C18H19N5O3/c1-11(12-6-7-16(24)17(9-12)26-3)19-22-18(25)14-10-13(20-21-14)15-5-4-8-23(15)2/h4-10,24H,1-3H3,(H,20,21)(H,22,25)/b19-11-
InChIKeyKLENZLQYRCLWOI-ODLFYWEKSA-N
XLogP2.28
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.28
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

3-(3,4-dimethoxyphenyl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3413332
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 135554267
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 5336811
N-[1-(furan-2-yl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 761751
3-(1-methylpyrrol-2-yl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5445406
3-(1-methylpyrrol-2-yl)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 1128434
3-(1-methylpyrrol-2-yl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5445405
3,4-dichloro-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 4131490
3-(3,4-dimethoxyphenyl)-N-[1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3944930
N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide
CID 5076368
3-(3,4-dimethoxyphenyl)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-1H-pyrazole-5-carboxamide
CID 6021427
4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 135685330

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(Z)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide (CID 135892511) is N-[(Z)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide is COc1cc(/C(C)=N\NC(=O)c2cc(-c3cccn3C)n[nH]2)ccc1O.
What is the InChIKey of N-[(Z)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is KLENZLQYRCLWOI-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-11(12-6-7-16(24)17(9-12)26-3)19-22-18(25)14-10-13(20-21-14)15-5-4-8-23(15)2/h4-10,24H,1-3H3,(H,20,21)(H,22,25)/b19-11-.
What are the key properties of N-[(Z)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
N-[(Z)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135892511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).