N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(1-hydroxycyclopentyl)acetamide

C16H27N3O2 — CID 111430633

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCc1cc(C)n(CC(C)CNC(=O)CC2(O)CCCC2)n1
InChIInChI=1S/C16H27N3O2/c1-12(11-19-14(3)8-13(2)18-19)10-17-15(20)9-16(21)6-4-5-7-16/h8,12,21H,4-7,9-11H2,1-3H3,(H,17,20)
InChIKeyFMSFLMLDFRMVQJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.95
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(1-hydroxycyclopentyl)acetamide

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 111430633) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(1-hydroxycyclopentyl)acetamide
PubChem CID111430633
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCc1cc(C)n(CC(C)CNC(=O)CC2(O)CCCC2)n1
InChIInChI=1S/C16H27N3O2/c1-12(11-19-14(3)8-13(2)18-19)10-17-15(20)9-16(21)6-4-5-7-16/h8,12,21H,4-7,9-11H2,1-3H3,(H,17,20)
InChIKeyFMSFLMLDFRMVQJ-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936610
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-hydroxythiane-4-carboxamide
CID 97329970
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618588
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide
CID 94185912
2-(1-hydroxycyclohexyl)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide
CID 111331945
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide
CID 94181374
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylsulfonylpropanamide
CID 94028953
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111446390
(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylsulfonylpropanamide
CID 94028952
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62447780
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]morpholine-4-carboxamide
CID 94031608
1-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(9R)-6-oxaspiro[4.5]decan-9-yl]urea
CID 97234916

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(1-hydroxycyclopentyl)acetamide (CID 111430633) is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(1-hydroxycyclopentyl)acetamide is Cc1cc(C)n(CC(C)CNC(=O)CC2(O)CCCC2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is FMSFLMLDFRMVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(11-19-14(3)8-13(2)18-19)10-17-15(20)9-16(21)6-4-5-7-16/h8,12,21H,4-7,9-11H2,1-3H3,(H,17,20).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(1-hydroxycyclopentyl)acetamide?
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 111430633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).