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

C23H17N5O — CID 1351696

IUPACN-(1H-indol-3-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NN=Cc1c[nH]c2ccccc12)c1cc(-c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C23H17N5O/c29-23(28-25-14-18-13-24-20-8-4-3-7-19(18)20)22-12-21(26-27-22)17-10-9-15-5-1-2-6-16(15)11-17/h1-14,24H,(H,26,27)(H,28,29)
InChIKeyVXASWGPGDJKNIK-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.48
Rot. Bonds4

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

N-(1H-indol-3-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 1351696) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
PubChem CID1351696
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC NameN-(1H-indol-3-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NN=Cc1c[nH]c2ccccc12)c1cc(-c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C23H17N5O/c29-23(28-25-14-18-13-24-20-8-4-3-7-19(18)20)22-12-21(26-27-22)17-10-9-15-5-1-2-6-16(15)11-17/h1-14,24H,(H,26,27)(H,28,29)
InChIKeyVXASWGPGDJKNIK-UHFFFAOYSA-N
XLogP4.48
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.48
H-Bond Donors ≤ 53
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'}

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Related Compounds

3-(3,4-dichlorophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 135641952
N-(1H-indol-3-ylmethylideneamino)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
CID 1390898
3-(4-ethylphenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 135472845
3-(4-butoxyphenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 136762097
N-(anthracen-9-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 4046792
N-[(E)-1H-indol-3-ylmethylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 86261450
3-(4-ethoxy-3-methoxyphenyl)-N-(1H-indol-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 1390960
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
[2-methoxy-6-[(Z)-[(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl] acetate
CID 92847965
N-[(E)-1H-indol-3-ylmethylideneamino]-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
CID 135641990
N-[(3-chlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 3393712
N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 135642435

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1H-indol-3-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide (CID 1351696) is N-(1H-indol-3-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1H-indol-3-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1H-indol-3-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide is O=C(NN=Cc1c[nH]c2ccccc12)c1cc(-c2ccc3ccccc3c2)n[nH]1.
What is the InChIKey of N-(1H-indol-3-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is VXASWGPGDJKNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c29-23(28-25-14-18-13-24-20-8-4-3-7-19(18)20)22-12-21(26-27-22)17-10-9-15-5-1-2-6-16(15)11-17/h1-14,24H,(H,26,27)(H,28,29).
What are the key properties of N-(1H-indol-3-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
N-(1H-indol-3-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 4.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 1351696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).