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

C14H18N4O2 — CID 106486383

IUPAC1,3-dimethyl-5-[3-(methylaminomethyl)phenoxy]pyrazole-4-carboxamide
SMILESCNCc1cccc(Oc2c(C(N)=O)c(C)nn2C)c1
InChIInChI=1S/C14H18N4O2/c1-9-12(13(15)19)14(18(3)17-9)20-11-6-4-5-10(7-11)8-16-2/h4-7,16H,8H2,1-3H3,(H2,15,19)
InChIKeySRAVCLPIHMHNCY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.34
Rot. Bonds5

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

1,3-dimethyl-5-[3-(methylaminomethyl)phenoxy]pyrazole-4-carboxamide (PubChem CID 106486383) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-[3-(methylaminomethyl)phenoxy]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-5-[3-(methylaminomethyl)phenoxy]pyrazole-4-carboxamide
PubChem CID106486383
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1,3-dimethyl-5-[3-(methylaminomethyl)phenoxy]pyrazole-4-carboxamide
SMILESCNCc1cccc(Oc2c(C(N)=O)c(C)nn2C)c1
InChIInChI=1S/C14H18N4O2/c1-9-12(13(15)19)14(18(3)17-9)20-11-6-4-5-10(7-11)8-16-2/h4-7,16H,8H2,1-3H3,(H2,15,19)
InChIKeySRAVCLPIHMHNCY-UHFFFAOYSA-N
XLogP1.34
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-5-[4-(methylamino)phenoxy]pyrazole-4-carboxamide
CID 55243072
2-[3-(methylaminomethyl)phenoxy]pyridine-4-carboxamide
CID 106486567
2-[3-(methylaminomethyl)phenoxy]pyridine-3-carboxamide
CID 106486329
4-[1-[[5-(3-ethylphenoxy)-1,3-dimethylpyrazole-4-carbonyl]amino]ethyl]benzoic acid
CID 175201609
5-[3-(aminomethyl)phenoxy]-1,3-dimethylpyrazole-4-carbonitrile
CID 106485851
5-(3-tert-butylphenoxy)-1,3-dimethylpyrazole-4-carbothioamide
CID 63752126
1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylic acid
CID 2774290
1,3-dimethyl-5-(3-nitrophenoxy)pyrazole-4-carboxylic acid
CID 61031648
1-[3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 106486373
N-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine
CID 106486575
ethyl 2-[3-(methylaminomethyl)phenoxy]acetate
CID 60882222
N-methyl-1-[3-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
CID 116793113

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[3-(methylaminomethyl)phenoxy]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-5-[3-(methylaminomethyl)phenoxy]pyrazole-4-carboxamide (CID 106486383) is 1,3-dimethyl-5-[3-(methylaminomethyl)phenoxy]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-5-[3-(methylaminomethyl)phenoxy]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-5-[3-(methylaminomethyl)phenoxy]pyrazole-4-carboxamide is CNCc1cccc(Oc2c(C(N)=O)c(C)nn2C)c1.
What is the InChIKey of 1,3-dimethyl-5-[3-(methylaminomethyl)phenoxy]pyrazole-4-carboxamide?
The InChIKey is SRAVCLPIHMHNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-12(13(15)19)14(18(3)17-9)20-11-6-4-5-10(7-11)8-16-2/h4-7,16H,8H2,1-3H3,(H2,15,19).
What are the key properties of 1,3-dimethyl-5-[3-(methylaminomethyl)phenoxy]pyrazole-4-carboxamide?
1,3-dimethyl-5-[3-(methylaminomethyl)phenoxy]pyrazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[3-(methylaminomethyl)phenoxy]pyrazole-4-carboxamide is sourced from PubChem (CID 106486383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).