N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide

C26H20N4O3 — CID 136861823

IUPACN-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc2ccccc2c1-c1cc(C(=O)N/N=C\c2c(O)ccc3ccccc23)[nH]n1
InChIInChI=1S/C26H20N4O3/c1-33-24-13-11-17-7-3-5-9-19(17)25(24)21-14-22(29-28-21)26(32)30-27-15-20-18-8-4-2-6-16(18)10-12-23(20)31/h2-15,31H,1H3,(H,28,29)(H,30,32)/b27-15-
InChIKeyYDQIOYQPOFWBDV-DICXZTSXSA-N
MW436.47 g/mol
LogP4.86
Rot. Bonds5

About N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide

N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide (PubChem CID 136861823) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide
PubChem CID136861823
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC NameN-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc2ccccc2c1-c1cc(C(=O)N/N=C\c2c(O)ccc3ccccc23)[nH]n1
InChIInChI=1S/C26H20N4O3/c1-33-24-13-11-17-7-3-5-9-19(17)25(24)21-14-22(29-28-21)26(32)30-27-15-20-18-8-4-2-6-16(18)10-12-23(20)31/h2-15,31H,1H3,(H,28,29)(H,30,32)/b27-15-
InChIKeyYDQIOYQPOFWBDV-DICXZTSXSA-N
XLogP4.86
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.86
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

N-[(2,4-dihydroxyphenyl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide
CID 1184957
3-(2-methoxynaphthalen-1-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6900037
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6890833
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 1185189
methyl 4-[[[3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
CID 1184963
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136700625
3-(2-methoxynaphthalen-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6869977
3-(2,5-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4528877
3-(2-butoxyphenyl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 136906005
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
CID 136890839
3-(3,5-dimethyl-2-phenyl-1H-pyrazol-2-ium-4-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135841703
5-bromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide
CID 137227559

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide (CID 136861823) is N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide is COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C\c2c(O)ccc3ccccc23)[nH]n1.
What is the InChIKey of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is YDQIOYQPOFWBDV-DICXZTSXSA-N. The full InChI is InChI=1S/C26H20N4O3/c1-33-24-13-11-17-7-3-5-9-19(17)25(24)21-14-22(29-28-21)26(32)30-27-15-20-18-8-4-2-6-16(18)10-12-23(20)31/h2-15,31H,1H3,(H,28,29)(H,30,32)/b27-15-.
What are the key properties of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide?
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 4.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 136861823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).