N-(anthracen-9-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide

C29H20N4O — CID 4046792

IUPACN-(anthracen-9-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NN=Cc1c2ccccc2cc2ccccc12)c1cc(-c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C29H20N4O/c34-29(28-17-27(31-32-28)23-14-13-19-7-1-2-8-20(19)15-23)33-30-18-26-24-11-5-3-9-21(24)16-22-10-4-6-12-25(22)26/h1-18H,(H,31,32)(H,33,34)
InChIKeyUDAPTDKUBLSQGP-UHFFFAOYSA-N
MW440.51 g/mol
LogP6.30
Rot. Bonds4

About N-(anthracen-9-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide

N-(anthracen-9-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 4046792) has the molecular formula C29H20N4O and a molecular weight of 440.51 g/mol. Its IUPAC name is N-(anthracen-9-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(anthracen-9-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
PubChem CID4046792
Molecular FormulaC29H20N4O
Molecular Weight440.51 g/mol
Exact Mass440.16
IUPAC NameN-(anthracen-9-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NN=Cc1c2ccccc2cc2ccccc12)c1cc(-c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C29H20N4O/c34-29(28-17-27(31-32-28)23-14-13-19-7-1-2-8-20(19)15-23)33-30-18-26-24-11-5-3-9-21(24)16-22-10-4-6-12-25(22)26/h1-18H,(H,31,32)(H,33,34)
InChIKeyUDAPTDKUBLSQGP-UHFFFAOYSA-N
XLogP6.30
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 56.30
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-(anthracen-9-ylmethylideneamino)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 2041756
N-(1H-indol-3-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 1351696
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136700625
N-[(3-chlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 3393712
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 1185189
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
CID 136890839
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6890833
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 4139061
[2-methoxy-6-[(Z)-[(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl] acetate
CID 92847965
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 135651360
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 1351699
N-[(2-bromo-3-phenylprop-2-enylidene)amino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 2868809

Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(anthracen-9-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide (CID 4046792) is N-(anthracen-9-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(anthracen-9-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(anthracen-9-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide is O=C(NN=Cc1c2ccccc2cc2ccccc12)c1cc(-c2ccc3ccccc3c2)n[nH]1.
What is the InChIKey of N-(anthracen-9-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is UDAPTDKUBLSQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N4O/c34-29(28-17-27(31-32-28)23-14-13-19-7-1-2-8-20(19)15-23)33-30-18-26-24-11-5-3-9-21(24)16-22-10-4-6-12-25(22)26/h1-18H,(H,31,32)(H,33,34).
What are the key properties of N-(anthracen-9-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
N-(anthracen-9-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 6.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anthracen-9-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 4046792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).