3-[(2-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide

C16H16N6O2 — CID 71765520

IUPAC3-[(2-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccccc2O)n[nH]c1Nc1cccnc1
InChIInChI=1S/C16H16N6O2/c17-14(24)13-15(19-8-10-4-1-2-6-12(10)23)21-22-16(13)20-11-5-3-7-18-9-11/h1-7,9,23H,8H2,(H2,17,24)(H3,19,20,21,22)
InChIKeyDBYBEUXSCXHADG-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.96
Rot. Bonds6

About 3-[(2-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide

3-[(2-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide (PubChem CID 71765520) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-[(2-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(2-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
PubChem CID71765520
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name3-[(2-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccccc2O)n[nH]c1Nc1cccnc1
InChIInChI=1S/C16H16N6O2/c17-14(24)13-15(19-8-10-4-1-2-6-12(10)23)21-22-16(13)20-11-5-3-7-18-9-11/h1-7,9,23H,8H2,(H2,17,24)(H3,19,20,21,22)
InChIKeyDBYBEUXSCXHADG-UHFFFAOYSA-N
XLogP1.96
TPSA128.95 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(2-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide (CID 71765520) is 3-[(2-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(2-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(2-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide is NC(=O)c1c(NCc2ccccc2O)n[nH]c1Nc1cccnc1.
What is the InChIKey of 3-[(2-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is DBYBEUXSCXHADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c17-14(24)13-15(19-8-10-4-1-2-6-12(10)23)21-22-16(13)20-11-5-3-7-18-9-11/h1-7,9,23H,8H2,(H2,17,24)(H3,19,20,21,22).
What are the key properties of 3-[(2-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide?
3-[(2-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71765520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).