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

C12H19N3O2 — CID 66006897

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxycyclobutyl)methyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCC1CC(O)C1
InChIInChI=1S/C12H19N3O2/c1-7-11(8(2)15-14-7)5-12(17)13-6-9-3-10(16)4-9/h9-10,16H,3-6H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyATMHPDHKSRNJEK-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.46
Rot. Bonds4

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxycyclobutyl)methyl]acetamide (PubChem CID 66006897) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxycyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxycyclobutyl)methyl]acetamide
PubChem CID66006897
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxycyclobutyl)methyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCC1CC(O)C1
InChIInChI=1S/C12H19N3O2/c1-7-11(8(2)15-14-7)5-12(17)13-6-9-3-10(16)4-9/h9-10,16H,3-6H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyATMHPDHKSRNJEK-UHFFFAOYSA-N
XLogP0.46
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 110126473
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
N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950838
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxycyclohexyl)acetamide
CID 55064029
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 94414647
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-(3-methyl-2-methylidenebut-3-enyl)acetamide;ethane
CID 143816495
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64532408
ethyl 4-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]butanoate
CID 60718057
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[(2R)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]acetamide
CID 125006228
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 81130743

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxycyclobutyl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxycyclobutyl)methyl]acetamide (CID 66006897) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxycyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxycyclobutyl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxycyclobutyl)methyl]acetamide is Cc1n[nH]c(C)c1CC(=O)NCC1CC(O)C1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxycyclobutyl)methyl]acetamide?
The InChIKey is ATMHPDHKSRNJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7-11(8(2)15-14-7)5-12(17)13-6-9-3-10(16)4-9/h9-10,16H,3-6H2,1-2H3,(H,13,17)(H,14,15).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxycyclobutyl)methyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxycyclobutyl)methyl]acetamide has a molecular weight of 237.30 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxycyclobutyl)methyl]acetamide is sourced from PubChem (CID 66006897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).