1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide

C14H23N3O2 — CID 146043892

IUPAC1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)N[C@H]2CCCCCC[C@@H]2O)n1
InChIInChI=1S/C14H23N3O2/c1-2-17-10-9-12(16-17)14(19)15-11-7-5-3-4-6-8-13(11)18/h9-11,13,18H,2-8H2,1H3,(H,15,19)/t11-,13-/m0/s1
InChIKeyPLHVKGMEIGKHKQ-AAEUAGOBSA-N
MW265.36 g/mol
LogP1.72
Rot. Bonds3

About 1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide

1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide (PubChem CID 146043892) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide
PubChem CID146043892
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)N[C@H]2CCCCCC[C@@H]2O)n1
InChIInChI=1S/C14H23N3O2/c1-2-17-10-9-12(16-17)14(19)15-11-7-5-3-4-6-8-13(11)18/h9-11,13,18H,2-8H2,1H3,(H,15,19)/t11-,13-/m0/s1
InChIKeyPLHVKGMEIGKHKQ-AAEUAGOBSA-N
XLogP1.72
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(11R)-11-hydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]undecyl]-2-methylpyrazole-3-carboxamide
CID 71680187
1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide
CID 1224835
US10214537, Example 154
CID 132220335
(R)-1-Methyl-N-((tetrahydrofuran-2-yl)methyl)-1H-pyrazole-3-carboxamide
CID 1224834
1-methyl-N-[1-(tetrahydro-2-furanyl)ethyl]-1H-pyrazole-5-carboxamide
CID 4770715
N-(6-methoxyhexyl)-2-methylpyrazole-3-carboxamide
CID 137640519
1-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 4137170
1-cyclopentyl-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrazole-3-carboxamide
CID 75401394
1-cyclopentyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide
CID 75483755
N-[(1S)-1-(aminocarbonyl)-3-methylbutyl]-1-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide
CID 119060839
2-[5-(azocan-1-ylcarbonyl)-1H-pyrazol-1-yl]ethanol
CID 119070590
N-{(1S,2R)-2-hydroxy-1-[(prop-2-yn-1-ylamino)carbonyl]propyl}-1-isopropyl-1H-pyrazole-3-carboxamide
CID 119074079

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide (CID 146043892) is 1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide is CCn1ccc(C(=O)N[C@H]2CCCCCC[C@@H]2O)n1.
What is the InChIKey of 1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide?
The InChIKey is PLHVKGMEIGKHKQ-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-17-10-9-12(16-17)14(19)15-11-7-5-3-4-6-8-13(11)18/h9-11,13,18H,2-8H2,1H3,(H,15,19)/t11-,13-/m0/s1.
What are the key properties of 1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide?
1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide is sourced from PubChem (CID 146043892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).