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

C17H23N3O3 — CID 42685753

IUPACN-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(OC)c(-c2n[nH]c(C)c2NC(=O)C(C)(C)C)c1
InChIInChI=1S/C17H23N3O3/c1-10-14(18-16(21)17(2,3)4)15(20-19-10)12-9-11(22-5)7-8-13(12)23-6/h7-9H,1-6H3,(H,18,21)(H,19,20)
InChIKeyNHUSFGFVWPPZQX-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.39
Rot. Bonds4

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

N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide (PubChem CID 42685753) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
PubChem CID42685753
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(OC)c(-c2n[nH]c(C)c2NC(=O)C(C)(C)C)c1
InChIInChI=1S/C17H23N3O3/c1-10-14(18-16(21)17(2,3)4)15(20-19-10)12-9-11(22-5)7-8-13(12)23-6/h7-9H,1-6H3,(H,18,21)(H,19,20)
InChIKeyNHUSFGFVWPPZQX-UHFFFAOYSA-N
XLogP3.39
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide
CID 894645
N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 42685604
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 42686888
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42686893
N-[5-cyclopropyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
CID 42686906
5-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole
CID 71602565
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide
CID 42686789
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]propanamide
CID 42686882
N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42685612
N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetamide
CID 42685652
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42685758
N~1~-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-1-cyclopropanecarboxamide
CID 42685759

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide (CID 42685753) is N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide is COc1ccc(OC)c(-c2n[nH]c(C)c2NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide?
The InChIKey is NHUSFGFVWPPZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-10-14(18-16(21)17(2,3)4)15(20-19-10)12-9-11(22-5)7-8-13(12)23-6/h7-9H,1-6H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide?
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide has a molecular weight of 317.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 42685753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).