3-[(3-hydroxyphenyl)methylideneamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide

C16H14N6O2 — CID 86701900

IUPAC3-[(3-hydroxyphenyl)methylideneamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(/N=C/c2cccc(O)c2)n[nH]c1Nc1cccnc1
InChIInChI=1S/C16H14N6O2/c17-14(24)13-15(19-8-10-3-1-5-12(23)7-10)21-22-16(13)20-11-4-2-6-18-9-11/h1-9,23H,(H2,17,24)(H2,20,21,22)/b19-8+
InChIKeyOKIBTGYCMKTWLV-UFWORHAWSA-N
MW322.33 g/mol
LogP2.10
Rot. Bonds5

About 3-[(3-hydroxyphenyl)methylideneamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide

3-[(3-hydroxyphenyl)methylideneamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide (PubChem CID 86701900) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 3-[(3-hydroxyphenyl)methylideneamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(3-hydroxyphenyl)methylideneamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
PubChem CID86701900
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name3-[(3-hydroxyphenyl)methylideneamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(/N=C/c2cccc(O)c2)n[nH]c1Nc1cccnc1
InChIInChI=1S/C16H14N6O2/c17-14(24)13-15(19-8-10-3-1-5-12(23)7-10)21-22-16(13)20-11-4-2-6-18-9-11/h1-9,23H,(H2,17,24)(H2,20,21,22)/b19-8+
InChIKeyOKIBTGYCMKTWLV-UFWORHAWSA-N
XLogP2.10
TPSA129.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenyl)methylideneamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(3-hydroxyphenyl)methylideneamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide (CID 86701900) is 3-[(3-hydroxyphenyl)methylideneamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(3-hydroxyphenyl)methylideneamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(3-hydroxyphenyl)methylideneamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide is NC(=O)c1c(/N=C/c2cccc(O)c2)n[nH]c1Nc1cccnc1.
What is the InChIKey of 3-[(3-hydroxyphenyl)methylideneamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is OKIBTGYCMKTWLV-UFWORHAWSA-N. The full InChI is InChI=1S/C16H14N6O2/c17-14(24)13-15(19-8-10-3-1-5-12(23)7-10)21-22-16(13)20-11-4-2-6-18-9-11/h1-9,23H,(H2,17,24)(H2,20,21,22)/b19-8+.
What are the key properties of 3-[(3-hydroxyphenyl)methylideneamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide?
3-[(3-hydroxyphenyl)methylideneamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 322.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenyl)methylideneamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 86701900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).