N-[2-(2-aminoethoxy)phenyl]-1,5-dimethylpyrazole-4-carboxamide

C14H18N4O2 — CID 43175580

IUPACN-[2-(2-aminoethoxy)phenyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2OCCN)cnn1C
InChIInChI=1S/C14H18N4O2/c1-10-11(9-16-18(10)2)14(19)17-12-5-3-4-6-13(12)20-8-7-15/h3-6,9H,7-8,15H2,1-2H3,(H,17,19)
InChIKeyQPHOYLKMGVHITL-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.32
Rot. Bonds5

About N-[2-(2-aminoethoxy)phenyl]-1,5-dimethylpyrazole-4-carboxamide

N-[2-(2-aminoethoxy)phenyl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 43175580) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)phenyl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)phenyl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID43175580
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[2-(2-aminoethoxy)phenyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2OCCN)cnn1C
InChIInChI=1S/C14H18N4O2/c1-10-11(9-16-18(10)2)14(19)17-12-5-3-4-6-13(12)20-8-7-15/h3-6,9H,7-8,15H2,1-2H3,(H,17,19)
InChIKeyQPHOYLKMGVHITL-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 120604390
N-[2-(2-aminoethoxy)phenyl]-3-hydroxy-2-methylbenzamide
CID 82809720
N-[2-(chloromethyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 114298281
5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39093834
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
N-[2-(2-aminoethoxy)phenyl]-2,5-dihydroxybenzamide
CID 107721250
N-[2-(2-aminoethoxy)phenyl]-2,6-dihydroxybenzamide
CID 107687422
N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776782
N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 110864104
tert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate
CID 22620024
methyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate
CID 19342092
N-[2-(2-aminoethoxy)phenyl]-2-ethylbutanamide
CID 43369538

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)phenyl]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-aminoethoxy)phenyl]-1,5-dimethylpyrazole-4-carboxamide (CID 43175580) is N-[2-(2-aminoethoxy)phenyl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)phenyl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-aminoethoxy)phenyl]-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccccc2OCCN)cnn1C.
What is the InChIKey of N-[2-(2-aminoethoxy)phenyl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is QPHOYLKMGVHITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-11(9-16-18(10)2)14(19)17-12-5-3-4-6-13(12)20-8-7-15/h3-6,9H,7-8,15H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(2-aminoethoxy)phenyl]-1,5-dimethylpyrazole-4-carboxamide?
N-[2-(2-aminoethoxy)phenyl]-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)phenyl]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 43175580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).