2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

C15H18N4O2 — CID 134699637

IUPAC2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESO=C(Cn1cccn1)N[C@@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C15H18N4O2/c20-15(9-19-7-1-4-17-19)18-14-11-21-10-13(14)8-12-2-5-16-6-3-12/h1-7,13-14H,8-11H2,(H,18,20)/t13-,14-/m1/s1
InChIKeyUFCLWTQNWAIUQA-ZIAGYGMSSA-N
MW286.33 g/mol
LogP0.65
Rot. Bonds5

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

2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide (PubChem CID 134699637) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
PubChem CID134699637
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESO=C(Cn1cccn1)N[C@@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C15H18N4O2/c20-15(9-19-7-1-4-17-19)18-14-11-21-10-13(14)8-12-2-5-16-6-3-12/h1-7,13-14H,8-11H2,(H,18,20)/t13-,14-/m1/s1
InChIKeyUFCLWTQNWAIUQA-ZIAGYGMSSA-N
XLogP0.65
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134712034
2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134698289
2-(4-methoxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134697379
2-(4-propan-2-ylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134709594
4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
CID 154918726
4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
CID 134697099
2-cyclopentyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135101855
4-phenyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide
CID 134712464
2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134711883
2-(3-butanoylindol-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135114158
3-methylsulfonyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135100569
N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 135100774

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The IUPAC name of 2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide (CID 134699637) is 2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide is O=C(Cn1cccn1)N[C@@H]1COC[C@H]1Cc1ccncc1.
What is the InChIKey of 2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The InChIKey is UFCLWTQNWAIUQA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(9-19-7-1-4-17-19)18-14-11-21-10-13(14)8-12-2-5-16-6-3-12/h1-7,13-14H,8-11H2,(H,18,20)/t13-,14-/m1/s1.
What are the key properties of 2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide has a molecular weight of 286.33 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 134699637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).