3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide

C13H15ClN4O2 — CID 64524072

IUPAC3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(CCOc1ccccc1Cl)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C13H15ClN4O2/c1-18(13(19)10-8-12(15)17-16-10)6-7-20-11-5-3-2-4-9(11)14/h2-5,8H,6-7H2,1H3,(H3,15,16,17)
InChIKeyFBJVKVMVMAEMHX-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.80
Rot. Bonds5

About 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide

3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 64524072) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID64524072
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(CCOc1ccccc1Cl)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C13H15ClN4O2/c1-18(13(19)10-8-12(15)17-16-10)6-7-20-11-5-3-2-4-9(11)14/h2-5,8H,6-7H2,1H3,(H3,15,16,17)
InChIKeyFBJVKVMVMAEMHX-UHFFFAOYSA-N
XLogP1.80
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide
CID 64524057
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741559
4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 62688700
N-[2-(2-chlorophenoxy)ethyl]-4-cyano-N-methyl-1H-pyrrole-2-carboxamide
CID 75376412
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 54869980
3-amino-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523848
5-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 60676187
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-2-hydroxy-N-methylbenzamide
CID 18119348
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103160
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 103604079
ethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)-methylamino]propanoate
CID 64525088

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide (CID 64524072) is 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide is CN(CCOc1ccccc1Cl)C(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is FBJVKVMVMAEMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-18(13(19)10-8-12(15)17-16-10)6-7-20-11-5-3-2-4-9(11)14/h2-5,8H,6-7H2,1H3,(H3,15,16,17).
What are the key properties of 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide?
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).