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

C15H12N4O2 — CID 774351

IUPACN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(NN=Cc1c(O)ccc2ccccc12)c1ccn[nH]1
InChIInChI=1S/C15H12N4O2/c20-14-6-5-10-3-1-2-4-11(10)12(14)9-17-19-15(21)13-7-8-16-18-13/h1-9,20H,(H,16,18)(H,19,21)
InChIKeyKMDHNWTYSTVILC-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.03
Rot. Bonds3

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

N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 774351) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID774351
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(NN=Cc1c(O)ccc2ccccc12)c1ccn[nH]1
InChIInChI=1S/C15H12N4O2/c20-14-6-5-10-3-1-2-4-11(10)12(14)9-17-19-15(21)13-7-8-16-18-13/h1-9,20H,(H,16,18)(H,19,21)
InChIKeyKMDHNWTYSTVILC-UHFFFAOYSA-N
XLogP2.03
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.03
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide (CID 774351) is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide is O=C(NN=Cc1c(O)ccc2ccccc12)c1ccn[nH]1.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is KMDHNWTYSTVILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-14-6-5-10-3-1-2-4-11(10)12(14)9-17-19-15(21)13-7-8-16-18-13/h1-9,20H,(H,16,18)(H,19,21).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide?
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 774351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).