N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C18H16N4O2 — CID 135875328

IUPACN-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(N/N=C\c1c(O)ccc2ccccc12)c1n[nH]c2c1CCC2
InChIInChI=1S/C18H16N4O2/c23-16-9-8-11-4-1-2-5-12(11)14(16)10-19-22-18(24)17-13-6-3-7-15(13)20-21-17/h1-2,4-5,8-10,23H,3,6-7H2,(H,20,21)(H,22,24)/b19-10-
InChIKeyDXALFAYOYMDQMC-GRSHGNNSSA-N
MW320.35 g/mol
LogP2.52
Rot. Bonds3

About N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 135875328) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID135875328
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(N/N=C\c1c(O)ccc2ccccc12)c1n[nH]c2c1CCC2
InChIInChI=1S/C18H16N4O2/c23-16-9-8-11-4-1-2-5-12(11)14(16)10-19-22-18(24)17-13-6-3-7-15(13)20-21-17/h1-2,4-5,8-10,23H,3,6-7H2,(H,20,21)(H,22,24)/b19-10-
InChIKeyDXALFAYOYMDQMC-GRSHGNNSSA-N
XLogP2.52
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

(5R)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 135688555
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 6869343
N-[(2,6-dichlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 687582
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 135411735
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 135781772
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
2-[2-[(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
CID 2039528
N-[(3-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 744838
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 135582432
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136700625
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 135875328) is N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(N/N=C\c1c(O)ccc2ccccc12)c1n[nH]c2c1CCC2.
What is the InChIKey of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is DXALFAYOYMDQMC-GRSHGNNSSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-16-9-8-11-4-1-2-5-12(11)14(16)10-19-22-18(24)17-13-6-3-7-15(13)20-21-17/h1-2,4-5,8-10,23H,3,6-7H2,(H,20,21)(H,22,24)/b19-10-.
What are the key properties of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 135875328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).