1,3-dimethyl-5-[4-(methylamino)phenoxy]pyrazole-4-carboxamide

C13H16N4O2 — CID 55243072

IUPAC1,3-dimethyl-5-[4-(methylamino)phenoxy]pyrazole-4-carboxamide
SMILESCNc1ccc(Oc2c(C(N)=O)c(C)nn2C)cc1
InChIInChI=1S/C13H16N4O2/c1-8-11(12(14)18)13(17(3)16-8)19-10-6-4-9(15-2)5-7-10/h4-7,15H,1-3H3,(H2,14,18)
InChIKeyXGFISKYHSAMXGQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.66
Rot. Bonds4

About 1,3-dimethyl-5-[4-(methylamino)phenoxy]pyrazole-4-carboxamide

1,3-dimethyl-5-[4-(methylamino)phenoxy]pyrazole-4-carboxamide (PubChem CID 55243072) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-[4-(methylamino)phenoxy]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-5-[4-(methylamino)phenoxy]pyrazole-4-carboxamide
PubChem CID55243072
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1,3-dimethyl-5-[4-(methylamino)phenoxy]pyrazole-4-carboxamide
SMILESCNc1ccc(Oc2c(C(N)=O)c(C)nn2C)cc1
InChIInChI=1S/C13H16N4O2/c1-8-11(12(14)18)13(17(3)16-8)19-10-6-4-9(15-2)5-7-10/h4-7,15H,1-3H3,(H2,14,18)
InChIKeyXGFISKYHSAMXGQ-UHFFFAOYSA-N
XLogP1.66
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-5-[3-(methylaminomethyl)phenoxy]pyrazole-4-carboxamide
CID 106486383
5-(4-chlorophenoxy)-1,3-dimethylpyrazole-4-carbothioamide
CID 63750938
5-[4-(hydroxymethyl)phenoxy]-1,3-dimethylpyrazole-4-carbothioamide
CID 63750941
1,3-dimethyl-5-(4-methylsulfonylphenoxy)pyrazole-4-carboxylic acid
CID 43807116
4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide
CID 43283512
5-(4-ethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952346
CID 11028273
CID 11028273
5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazole-4-carboxylic acid
CID 61000631
5-[4-(cyanomethyl)phenoxy]-1,3-dimethylpyrazole-4-carboxylic acid
CID 28952454
1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazole-4-carbothioamide
CID 63751456
N'-hydroxy-1,3-dimethyl-5-(4-propylphenoxy)pyrazole-4-carboximidamide
CID 76952111
methyl 5-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1,3-dimethylpyrazole-4-carboxylate
CID 91009538

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[4-(methylamino)phenoxy]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-5-[4-(methylamino)phenoxy]pyrazole-4-carboxamide (CID 55243072) is 1,3-dimethyl-5-[4-(methylamino)phenoxy]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-5-[4-(methylamino)phenoxy]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-5-[4-(methylamino)phenoxy]pyrazole-4-carboxamide is CNc1ccc(Oc2c(C(N)=O)c(C)nn2C)cc1.
What is the InChIKey of 1,3-dimethyl-5-[4-(methylamino)phenoxy]pyrazole-4-carboxamide?
The InChIKey is XGFISKYHSAMXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-11(12(14)18)13(17(3)16-8)19-10-6-4-9(15-2)5-7-10/h4-7,15H,1-3H3,(H2,14,18).
What are the key properties of 1,3-dimethyl-5-[4-(methylamino)phenoxy]pyrazole-4-carboxamide?
1,3-dimethyl-5-[4-(methylamino)phenoxy]pyrazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[4-(methylamino)phenoxy]pyrazole-4-carboxamide is sourced from PubChem (CID 55243072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).