(1-ethyl-3-methylpyrazol-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

C18H30N4O2 — CID 72894759

IUPAC(1-ethyl-3-methylpyrazol-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2C[C@H](CO)C[C@H](CN3CCCC3)C2)c(C)n1
InChIInChI=1S/C18H30N4O2/c1-3-22-12-17(14(2)19-22)18(24)21-10-15(8-16(11-21)13-23)9-20-6-4-5-7-20/h12,15-16,23H,3-11,13H2,1-2H3/t15-,16-/m1/s1
InChIKeyJVDGAZGPOTUZPL-HZPDHXFCSA-N
MW334.46 g/mol
LogP1.38
Rot. Bonds5

About (1-ethyl-3-methylpyrazol-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

(1-ethyl-3-methylpyrazol-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 72894759) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (1-ethyl-3-methylpyrazol-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-3-methylpyrazol-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID72894759
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(1-ethyl-3-methylpyrazol-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2C[C@H](CO)C[C@H](CN3CCCC3)C2)c(C)n1
InChIInChI=1S/C18H30N4O2/c1-3-22-12-17(14(2)19-22)18(24)21-10-15(8-16(11-21)13-23)9-20-6-4-5-7-20/h12,15-16,23H,3-11,13H2,1-2H3/t15-,16-/m1/s1
InChIKeyJVDGAZGPOTUZPL-HZPDHXFCSA-N
XLogP1.38
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-ethyl-3-methylpyrazol-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-4-(tetrahydrofuran-2-ylmethyl)piperazine
CID 50979496
(1S*,2S*)-2-{4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-1-piperazinyl}cyclohexanol
CID 72868463
1-ethyl-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3-dimethylpyrazole-4-carboxamide
CID 110127419
N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 42352823
[(3R*,5R*)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-5-(pyrrolidin-1-ylmethyl)piperidin-3-yl]methanol
CID 70719278
3-[(3R*,4S*)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol
CID 72840759
(4S)-4-(methoxymethyl)-3,3-dimethyl-1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-4-piperidinol
CID 72858222
[(3R*,5R*)-1-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]-5-(1-pyrrolidinylmethyl)-3-piperidinyl]methanol
CID 72930437
N~4~-{(3S,4R)-4-[(Dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-YL}-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 91923203
[4-(2-Hydroxycyclopentyl)piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 72139975
4-{[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]carbonyl}-5-methyl-1-propyl-1H-pyrazole
CID 72887191
2-{4-[(3-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-1-piperazinyl}ethanol
CID 72891925

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methylpyrazol-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-ethyl-3-methylpyrazol-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (CID 72894759) is (1-ethyl-3-methylpyrazol-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-3-methylpyrazol-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-ethyl-3-methylpyrazol-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is CCn1cc(C(=O)N2C[C@H](CO)C[C@H](CN3CCCC3)C2)c(C)n1.
What is the InChIKey of (1-ethyl-3-methylpyrazol-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is JVDGAZGPOTUZPL-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-3-22-12-17(14(2)19-22)18(24)21-10-15(8-16(11-21)13-23)9-20-6-4-5-7-20/h12,15-16,23H,3-11,13H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of (1-ethyl-3-methylpyrazol-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
(1-ethyl-3-methylpyrazol-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 334.46 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methylpyrazol-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 72894759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).