N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide

C17H23N3O2 — CID 42686883

IUPACN-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
SMILESCCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)C(C)(C)C
InChIInChI=1S/C17H23N3O2/c1-6-13-15(18-16(21)17(2,3)4)14(20-19-13)11-8-7-9-12(10-11)22-5/h7-10H,6H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyIJUVDOBANNDUKF-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.63
Rot. Bonds4

About N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide

N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide (PubChem CID 42686883) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
PubChem CID42686883
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
SMILESCCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)C(C)(C)C
InChIInChI=1S/C17H23N3O2/c1-6-13-15(18-16(21)17(2,3)4)14(20-19-13)11-8-7-9-12(10-11)22-5/h7-10H,6H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyIJUVDOBANNDUKF-UHFFFAOYSA-N
XLogP3.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutanamide
CID 42686897
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42686892
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 42686888
1-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42687479
N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide
CID 42686943
2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686957
3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide
CID 42686982
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide
CID 42686789
N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42687684
1-(4-fluorophenyl)-3-[3-(3-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea
CID 42687470
N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide
CID 42685636
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-3-methoxybenzamide
CID 42685722

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide (CID 42686883) is N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide is CCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)C(C)(C)C.
What is the InChIKey of N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide?
The InChIKey is IJUVDOBANNDUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-6-13-15(18-16(21)17(2,3)4)14(20-19-13)11-8-7-9-12(10-11)22-5/h7-10H,6H2,1-5H3,(H,18,21)(H,19,20).
What are the key properties of N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide?
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide has a molecular weight of 301.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 42686883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).