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

C20H27N3O4 — CID 42685823

IUPACN-[3-(2,5-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]-2-methylpropanamide
SMILESCOc1ccc(OC)c(-c2n[nH]c(C3CCOCC3)c2NC(=O)C(C)C)c1
InChIInChI=1S/C20H27N3O4/c1-12(2)20(24)21-19-17(13-7-9-27-10-8-13)22-23-18(19)15-11-14(25-3)5-6-16(15)26-4/h5-6,11-13H,7-10H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyRGMSYEIRUAUZRI-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.58
Rot. Bonds6

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

N-[3-(2,5-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]-2-methylpropanamide (PubChem CID 42685823) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[3-(2,5-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]-2-methylpropanamide
PubChem CID42685823
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-[3-(2,5-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]-2-methylpropanamide
SMILESCOc1ccc(OC)c(-c2n[nH]c(C3CCOCC3)c2NC(=O)C(C)C)c1
InChIInChI=1S/C20H27N3O4/c1-12(2)20(24)21-19-17(13-7-9-27-10-8-13)22-23-18(19)15-11-14(25-3)5-6-16(15)26-4/h5-6,11-13H,7-10H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyRGMSYEIRUAUZRI-UHFFFAOYSA-N
XLogP3.58
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-3-yl]tetrahydro-1(2H)-pyridinecarboxylate
CID 3578704
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
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]-2,2-dimethylpropanamide
CID 42685753
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-(oxan-4-yl)-1H-pyrazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[3-(2,5-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]-2-methylpropanamide (CID 42685823) is N-[3-(2,5-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(2,5-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-(2,5-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]-2-methylpropanamide is COc1ccc(OC)c(-c2n[nH]c(C3CCOCC3)c2NC(=O)C(C)C)c1.
What is the InChIKey of N-[3-(2,5-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]-2-methylpropanamide?
The InChIKey is RGMSYEIRUAUZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-12(2)20(24)21-19-17(13-7-9-27-10-8-13)22-23-18(19)15-11-14(25-3)5-6-16(15)26-4/h5-6,11-13H,7-10H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(2,5-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]-2-methylpropanamide?
N-[3-(2,5-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]-2-methylpropanamide has a molecular weight of 373.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 42685823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).