(5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone

C13H15N3O4 — CID 14674009

IUPAC(5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn[nH]c2N)cc(OC)c1OC
InChIInChI=1S/C13H15N3O4/c1-18-9-4-7(5-10(19-2)12(9)20-3)11(17)8-6-15-16-13(8)14/h4-6H,1-3H3,(H3,14,15,16)
InChIKeyAUXVXVDFOJUAJH-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.25
Rot. Bonds5

About (5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone

(5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 14674009) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID14674009
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn[nH]c2N)cc(OC)c1OC
InChIInChI=1S/C13H15N3O4/c1-18-9-4-7(5-10(19-2)12(9)20-3)11(17)8-6-15-16-13(8)14/h4-6H,1-3H3,(H3,14,15,16)
InChIKeyAUXVXVDFOJUAJH-UHFFFAOYSA-N
XLogP1.25
TPSA99.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 82770548
(2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 25064338
(2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 151869443
(5-amino-1H-pyrazol-4-yl)-(5-fluoro-3-pyridinyl)methanone
CID 65360874
(3-methoxyphenyl) 5-amino-1H-pyrazole-4-carboxylate
CID 117213662
phosphanyl 5-amino-1H-pyrazole-4-carboxylate
CID 90304947
(2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 18004169
(5-amino-1H-pyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanone
CID 65360867
3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid
CID 139864316
4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117479828
5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43337149
3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 115629999

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 14674009) is (5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cn[nH]c2N)cc(OC)c1OC.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is AUXVXVDFOJUAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-18-9-4-7(5-10(19-2)12(9)20-3)11(17)8-6-15-16-13(8)14/h4-6H,1-3H3,(H3,14,15,16).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
(5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 277.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 14674009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).