3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

C18H24N4O2 — CID 135117287

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
SMILESCc1[nH]nc(CCC(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1C
InChIInChI=1S/C18H24N4O2/c1-12-13(2)21-22-16(12)3-4-18(23)20-17-11-24-10-15(17)9-14-5-7-19-8-6-14/h5-8,15,17H,3-4,9-11H2,1-2H3,(H,20,23)(H,21,22)/t15-,17+/m1/s1
InChIKeyVALGLXMZPURYLL-WBVHZDCISA-N
MW328.42 g/mol
LogP1.73
Rot. Bonds6

About 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide (PubChem CID 135117287) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
PubChem CID135117287
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
SMILESCc1[nH]nc(CCC(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1C
InChIInChI=1S/C18H24N4O2/c1-12-13(2)21-22-16(12)3-4-18(23)20-17-11-24-10-15(17)9-14-5-7-19-8-6-14/h5-8,15,17H,3-4,9-11H2,1-2H3,(H,20,23)(H,21,22)/t15-,17+/m1/s1
InChIKeyVALGLXMZPURYLL-WBVHZDCISA-N
XLogP1.73
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135104245
3-methylsulfonyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135100569
4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
CID 134697099
4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
CID 154918726
4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide
CID 134712334
3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134712034
2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134711883
4-phenyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide
CID 134712464
N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide
CID 135103473
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
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135105074

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide (CID 135117287) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide is Cc1[nH]nc(CCC(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1C.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide?
The InChIKey is VALGLXMZPURYLL-WBVHZDCISA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-13(2)21-22-16(12)3-4-18(23)20-17-11-24-10-15(17)9-14-5-7-19-8-6-14/h5-8,15,17H,3-4,9-11H2,1-2H3,(H,20,23)(H,21,22)/t15-,17+/m1/s1.
What are the key properties of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide?
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide has a molecular weight of 328.42 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide is sourced from PubChem (CID 135117287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).