4-amino-N-[(2-hydroxy-4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide

C12H14N4O3 — CID 70809592

IUPAC4-amino-N-[(2-hydroxy-4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2[nH]ncc2N)c(O)c1
InChIInChI=1S/C12H14N4O3/c1-19-8-3-2-7(10(17)4-8)5-14-12(18)11-9(13)6-15-16-11/h2-4,6,17H,5,13H2,1H3,(H,14,18)(H,15,16)
InChIKeyBZTLVBLRFALGSK-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.64
Rot. Bonds4

About 4-amino-N-[(2-hydroxy-4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide

4-amino-N-[(2-hydroxy-4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 70809592) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-amino-N-[(2-hydroxy-4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-hydroxy-4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID70809592
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name4-amino-N-[(2-hydroxy-4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2[nH]ncc2N)c(O)c1
InChIInChI=1S/C12H14N4O3/c1-19-8-3-2-7(10(17)4-8)5-14-12(18)11-9(13)6-15-16-11/h2-4,6,17H,5,13H2,1H3,(H,14,18)(H,15,16)
InChIKeyBZTLVBLRFALGSK-UHFFFAOYSA-N
XLogP0.64
TPSA113.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 4-amino-N-[(2-hydroxy-4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(2-hydroxy-4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide (CID 70809592) is 4-amino-N-[(2-hydroxy-4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-hydroxy-4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(2-hydroxy-4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide is COc1ccc(CNC(=O)c2[nH]ncc2N)c(O)c1.
What is the InChIKey of 4-amino-N-[(2-hydroxy-4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is BZTLVBLRFALGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-19-8-3-2-7(10(17)4-8)5-14-12(18)11-9(13)6-15-16-11/h2-4,6,17H,5,13H2,1H3,(H,14,18)(H,15,16).
What are the key properties of 4-amino-N-[(2-hydroxy-4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
4-amino-N-[(2-hydroxy-4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 0.64, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-hydroxy-4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70809592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).