2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide

C13H21N3O3 — CID 81130743

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C13H21N3O3/c1-9-11(10(2)16-15-9)7-12(17)14-8-13(18)3-5-19-6-4-13/h18H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyYBUCZFHYIYZYPB-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.23
Rot. Bonds4

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide (PubChem CID 81130743) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
PubChem CID81130743
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C13H21N3O3/c1-9-11(10(2)16-15-9)7-12(17)14-8-13(18)3-5-19-6-4-13/h18H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyYBUCZFHYIYZYPB-UHFFFAOYSA-N
XLogP0.23
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362374
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
CID 114951437
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 81134167
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 106102844
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849554
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 121499826
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 65113658
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate
CID 43431213
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxypropyl)acetamide
CID 43501139
5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 81131094
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 124943762

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide (CID 81130743) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide is Cc1n[nH]c(C)c1CC(=O)NCC1(O)CCOCC1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The InChIKey is YBUCZFHYIYZYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9-11(10(2)16-15-9)7-12(17)14-8-13(18)3-5-19-6-4-13/h18H,3-8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide is sourced from PubChem (CID 81130743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).