2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]acetamide

C17H29N3O2 — CID 129433190

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N[C@@]1(CO)C[C@@H](C)CC(C)(C)C1
InChIInChI=1S/C17H29N3O2/c1-11-7-16(4,5)9-17(8-11,10-21)18-15(22)6-14-12(2)19-20-13(14)3/h11,21H,6-10H2,1-5H3,(H,18,22)(H,19,20)/t11-,17-/m0/s1
InChIKeyJYYCPXVMTONYMW-GTNSWQLSSA-N
MW307.44 g/mol
LogP2.26
Rot. Bonds4

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]acetamide (PubChem CID 129433190) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]acetamide
PubChem CID129433190
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N[C@@]1(CO)C[C@@H](C)CC(C)(C)C1
InChIInChI=1S/C17H29N3O2/c1-11-7-16(4,5)9-17(8-11,10-21)18-15(22)6-14-12(2)19-20-13(14)3/h11,21H,6-10H2,1-5H3,(H,18,22)(H,19,20)/t11-,17-/m0/s1
InChIKeyJYYCPXVMTONYMW-GTNSWQLSSA-N
XLogP2.26
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]acetamide
CID 129433188
N-[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 99777629
N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950838
1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea
CID 95784243
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(hydroxymethyl)cycloheptyl]acetamide
CID 119044630
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-(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-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 55259828
[1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 61050703
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxycyclobutyl)methyl]acetamide
CID 66006897
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 112787596

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]acetamide (CID 129433190) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]acetamide is Cc1n[nH]c(C)c1CC(=O)N[C@@]1(CO)C[C@@H](C)CC(C)(C)C1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]acetamide?
The InChIKey is JYYCPXVMTONYMW-GTNSWQLSSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-11-7-16(4,5)9-17(8-11,10-21)18-15(22)6-14-12(2)19-20-13(14)3/h11,21H,6-10H2,1-5H3,(H,18,22)(H,19,20)/t11-,17-/m0/s1.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]acetamide has a molecular weight of 307.44 g/mol, XLogP of 2.26, 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-[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]acetamide is sourced from PubChem (CID 129433190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).