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

C16H14N4O2 — CID 135781772

IUPACN-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C\c2c(O)ccc3ccccc23)n[nH]1
InChIInChI=1S/C16H14N4O2/c1-10-8-14(19-18-10)16(22)20-17-9-13-12-5-3-2-4-11(12)6-7-15(13)21/h2-9,21H,1H3,(H,18,19)(H,20,22)/b17-9-
InChIKeyZOQULRMFSBBJJR-MFOYZWKCSA-N
MW294.31 g/mol
LogP2.34
Rot. Bonds3

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

N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 135781772) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID135781772
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C\c2c(O)ccc3ccccc23)n[nH]1
InChIInChI=1S/C16H14N4O2/c1-10-8-14(19-18-10)16(22)20-17-9-13-12-5-3-2-4-11(12)6-7-15(13)21/h2-9,21H,1H3,(H,18,19)(H,20,22)/b17-9-
InChIKeyZOQULRMFSBBJJR-MFOYZWKCSA-N
XLogP2.34
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.34
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

N-[(Z)-anthracen-9-ylmethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5404758
5-cyclopropyl-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 847664
5-(furan-2-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 135684708
5-(5-bromothiophen-2-yl)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 1128671
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide
CID 135504405
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide
CID 3710730
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136700625
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 725191
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 135804376
2-N,4-N-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide
CID 135699184
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 135875328
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (CID 135781772) is N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N/N=C\c2c(O)ccc3ccccc23)n[nH]1.
What is the InChIKey of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is ZOQULRMFSBBJJR-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10-8-14(19-18-10)16(22)20-17-9-13-12-5-3-2-4-11(12)6-7-15(13)21/h2-9,21H,1H3,(H,18,19)(H,20,22)/b17-9-.
What are the key properties of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.34, 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]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135781772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).