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

C16H27N3O2 — CID 111445392

IUPAC2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)NCC1(O)CCC1
InChIInChI=1S/C16H27N3O2/c1-11(2)9-19-13(4)14(12(3)18-19)8-15(20)17-10-16(21)6-5-7-16/h11,21H,5-10H2,1-4H3,(H,17,20)
InChIKeyZCPKGZQGYNCMES-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.73
Rot. Bonds6

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

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide (PubChem CID 111445392) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
PubChem CID111445392
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)NCC1(O)CCC1
InChIInChI=1S/C16H27N3O2/c1-11(2)9-19-13(4)14(12(3)18-19)8-15(20)17-10-16(21)6-5-7-16/h11,21H,5-10H2,1-4H3,(H,17,20)
InChIKeyZCPKGZQGYNCMES-UHFFFAOYSA-N
XLogP1.73
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 111486135
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 111464025
N-[1-(aminomethyl)cyclopentyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 119566924
N-(3-aminobutyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride
CID 119497602
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111445786
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31592780
4-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 75429285
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119536142
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 38449351
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylethyl)acetamide
CID 46652170
(2S,3S)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 119193935
N-[2-(diethylamino)-2-phenylethyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 46446709

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide (CID 111445392) is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide is Cc1nn(CC(C)C)c(C)c1CC(=O)NCC1(O)CCC1.
What is the InChIKey of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
The InChIKey is ZCPKGZQGYNCMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)9-19-13(4)14(12(3)18-19)8-15(20)17-10-16(21)6-5-7-16/h11,21H,5-10H2,1-4H3,(H,17,20).
What are the key properties of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide?
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide is sourced from PubChem (CID 111445392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).