2-cyclohexyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide

C15H23N3O2 — CID 97428018

IUPAC2-cyclohexyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide
SMILESO=C(CC1CCCCC1)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C15H23N3O2/c19-15(8-12-4-2-1-3-5-12)17-13-9-16-18(10-13)14-6-7-20-11-14/h9-10,12,14H,1-8,11H2,(H,17,19)/t14-/m0/s1
InChIKeyWUFIRPVTWWVJMM-AWEZNQCLSA-N
MW277.37 g/mol
LogP2.75
Rot. Bonds4

About 2-cyclohexyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide

2-cyclohexyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide (PubChem CID 97428018) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-cyclohexyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide
PubChem CID97428018
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-cyclohexyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide
SMILESO=C(CC1CCCCC1)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C15H23N3O2/c19-15(8-12-4-2-1-3-5-12)17-13-9-16-18(10-13)14-6-7-20-11-14/h9-10,12,14H,1-8,11H2,(H,17,19)/t14-/m0/s1
InChIKeyWUFIRPVTWWVJMM-AWEZNQCLSA-N
XLogP2.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide (CID 97428018) is 2-cyclohexyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide is O=C(CC1CCCCC1)Nc1cnn([C@H]2CCOC2)c1.
What is the InChIKey of 2-cyclohexyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide?
The InChIKey is WUFIRPVTWWVJMM-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-15(8-12-4-2-1-3-5-12)17-13-9-16-18(10-13)14-6-7-20-11-14/h9-10,12,14H,1-8,11H2,(H,17,19)/t14-/m0/s1.
What are the key properties of 2-cyclohexyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide?
2-cyclohexyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 97428018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).