2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide

C21H24N4O2 — CID 51943853

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
SMILESCc1cc(C)n(CC(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)n1
InChIInChI=1S/C21H24N4O2/c1-15-11-16(2)25(24-15)13-21(26)23-17(3)19-6-8-20(9-7-19)27-14-18-5-4-10-22-12-18/h4-12,17H,13-14H2,1-3H3,(H,23,26)/t17-/m1/s1
InChIKeyWIRWKROCUNRDET-QGZVFWFLSA-N
MW364.45 g/mol
LogP3.35
Rot. Bonds7

About 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide (PubChem CID 51943853) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
PubChem CID51943853
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
SMILESCc1cc(C)n(CC(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)n1
InChIInChI=1S/C21H24N4O2/c1-15-11-16(2)25(24-15)13-21(26)23-17(3)19-6-8-20(9-7-19)27-14-18-5-4-10-22-12-18/h4-12,17H,13-14H2,1-3H3,(H,23,26)/t17-/m1/s1
InChIKeyWIRWKROCUNRDET-QGZVFWFLSA-N
XLogP3.35
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46470469
N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55838629
2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 46454003
2-(2-phenylethoxy)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 86871872
2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46463730
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46470535
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 55717842
N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide
CID 55693376
1-(2,6-dimethylphenyl)-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]thiourea
CID 43075928
5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55692986
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]propanamide
CID 46463459
2-(2,4-dimethylphenyl)-5-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]triazole-4-carboxamide
CID 46454013

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide (CID 51943853) is 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide is Cc1cc(C)n(CC(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide?
The InChIKey is WIRWKROCUNRDET-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-11-16(2)25(24-15)13-21(26)23-17(3)19-6-8-20(9-7-19)27-14-18-5-4-10-22-12-18/h4-12,17H,13-14H2,1-3H3,(H,23,26)/t17-/m1/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 51943853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).