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

C14H23N3O3 — CID 114951437

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
SMILESCc1n[nH]c(C)c1CC(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C14H23N3O3/c1-10-12(11(2)16-15-10)8-13(18)17(3)9-14(19)4-6-20-7-5-14/h19H,4-9H2,1-3H3,(H,15,16)
InChIKeyZPFPEKBURZARPU-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.57
Rot. Bonds4

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide (PubChem CID 114951437) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
PubChem CID114951437
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
SMILESCc1n[nH]c(C)c1CC(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C14H23N3O3/c1-10-12(11(2)16-15-10)8-13(18)17(3)9-14(19)4-6-20-7-5-14/h19H,4-9H2,1-3H3,(H,15,16)
InChIKeyZPFPEKBURZARPU-UHFFFAOYSA-N
XLogP0.57
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 81130743
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 114946954
2-(2,6-difluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
CID 114951477
methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]acetate
CID 43422778
methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]-2-methylpropanoate
CID 55008582
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
CID 114948737
ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate
CID 114951750
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylnonanamide
CID 114951680
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyloctanamide
CID 114951490
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 124943762
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpentanamide
CID 114951614
N-[(4-hydroxyoxan-4-yl)methyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide
CID 114951604

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide (CID 114951437) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide is Cc1n[nH]c(C)c1CC(=O)N(C)CC1(O)CCOCC1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide?
The InChIKey is ZPFPEKBURZARPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10-12(11(2)16-15-10)8-13(18)17(3)9-14(19)4-6-20-7-5-14/h19H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide has a molecular weight of 281.36 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 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]-N-methylacetamide is sourced from PubChem (CID 114951437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).