N-[(Z)-anthracen-9-ylmethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

C20H16N4O — CID 5404758

IUPACN-[(Z)-anthracen-9-ylmethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C\c2c3ccccc3cc3ccccc23)n[nH]1
InChIInChI=1S/C20H16N4O/c1-13-10-19(23-22-13)20(25)24-21-12-18-16-8-4-2-6-14(16)11-15-7-3-5-9-17(15)18/h2-12H,1H3,(H,22,23)(H,24,25)/b21-12-
InChIKeyCPKJITBZFVJWIB-MTJSOVHGSA-N
MW328.38 g/mol
LogP3.79
Rot. Bonds3

About N-[(Z)-anthracen-9-ylmethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

N-[(Z)-anthracen-9-ylmethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 5404758) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[(Z)-anthracen-9-ylmethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-anthracen-9-ylmethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID5404758
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-[(Z)-anthracen-9-ylmethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C\c2c3ccccc3cc3ccccc23)n[nH]1
InChIInChI=1S/C20H16N4O/c1-13-10-19(23-22-13)20(25)24-21-12-18-16-8-4-2-6-14(16)11-15-7-3-5-9-17(15)18/h2-12H,1H3,(H,22,23)(H,24,25)/b21-12-
InChIKeyCPKJITBZFVJWIB-MTJSOVHGSA-N
XLogP3.79
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 135781772
N-(anthracen-9-ylmethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 2321358
2-[(E)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 6890868
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5344234
N-(anthracen-9-ylmethylideneamino)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 2041756
N-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5105214
N-(anthracen-9-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 4046792
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 136728469
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 6887954
2-[2-[(Z)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 5403957
5-cyclopropyl-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 847664
N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide
CID 702160

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (CID 5404758) is N-[(Z)-anthracen-9-ylmethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-anthracen-9-ylmethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-anthracen-9-ylmethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N/N=C\c2c3ccccc3cc3ccccc23)n[nH]1.
What is the InChIKey of N-[(Z)-anthracen-9-ylmethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is CPKJITBZFVJWIB-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H16N4O/c1-13-10-19(23-22-13)20(25)24-21-12-18-16-8-4-2-6-14(16)11-15-7-3-5-9-17(15)18/h2-12H,1H3,(H,22,23)(H,24,25)/b21-12-.
What are the key properties of N-[(Z)-anthracen-9-ylmethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(Z)-anthracen-9-ylmethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-anthracen-9-ylmethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5404758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).