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

C19H32N4O2 — CID 70719278

IUPAC[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1ncc(C(=O)N2C[C@H](CO)C[C@H](CN3CCCC3)C2)c1C
InChIInChI=1S/C19H32N4O2/c1-3-6-23-15(2)18(10-20-23)19(25)22-12-16(9-17(13-22)14-24)11-21-7-4-5-8-21/h10,16-17,24H,3-9,11-14H2,1-2H3/t16-,17-/m1/s1
InChIKeyNSLNLSNTPHTYRO-IAGOWNOFSA-N
MW348.49 g/mol
LogP1.77
Rot. Bonds6

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

[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone (PubChem CID 70719278) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is [(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
PubChem CID70719278
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1ncc(C(=O)N2C[C@H](CO)C[C@H](CN3CCCC3)C2)c1C
InChIInChI=1S/C19H32N4O2/c1-3-6-23-15(2)18(10-20-23)19(25)22-12-16(9-17(13-22)14-24)11-21-7-4-5-8-21/h10,16-17,24H,3-9,11-14H2,1-2H3/t16-,17-/m1/s1
InChIKeyNSLNLSNTPHTYRO-IAGOWNOFSA-N
XLogP1.77
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-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
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
[(3R*,5R*)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)carbonyl]-5-(1-pyrrolidinylmethyl)-3-piperidinyl]methanol
CID 72894759
[(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-{[(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
{(3R*,4R*)-4-[(dimethylamino)methyl]-1-[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]-3-pyrrolidinyl}methanol
CID 72909877
[1-(1,3-Dimethyl-1H-pyrazole-4-carbonyl)-4-(dimethylamino)pyrrolidin-3-YL]methanol
CID 124050084
3-[(Cyclopropylmethoxy)methyl]-1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-4,4-difluoropiperidine
CID 124051186

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone?
The IUPAC name of [(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone (CID 70719278) is [(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone?
The canonical SMILES for [(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone is CCCn1ncc(C(=O)N2C[C@H](CO)C[C@H](CN3CCCC3)C2)c1C.
What is the InChIKey of [(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone?
The InChIKey is NSLNLSNTPHTYRO-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-3-6-23-15(2)18(10-20-23)19(25)22-12-16(9-17(13-22)14-24)11-21-7-4-5-8-21/h10,16-17,24H,3-9,11-14H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of [(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone?
[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone has a molecular weight of 348.49 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 70719278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).