[(3aS,6aR)-3a-fluoro-6a-(hydroxymethyl)-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone

C19H29FN4O2 — CID 166296580

IUPAC[(3aS,6aR)-3a-fluoro-6a-(hydroxymethyl)-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
SMILESO=C(c1cnn(CCN2CCCCC2)c1)N1C[C@]2(F)CCC[C@]2(CO)C1
InChIInChI=1S/C19H29FN4O2/c20-19-6-4-5-18(19,15-25)13-23(14-19)17(26)16-11-21-24(12-16)10-9-22-7-2-1-3-8-22/h11-12,25H,1-10,13-15H2/t18-,19-/m1/s1
InChIKeyYRLTUAHGNYDTNV-RTBURBONSA-N
MW364.47 g/mol
LogP1.70
Rot. Bonds5

About [(3aS,6aR)-3a-fluoro-6a-(hydroxymethyl)-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone

[(3aS,6aR)-3a-fluoro-6a-(hydroxymethyl)-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone (PubChem CID 166296580) has the molecular formula C19H29FN4O2 and a molecular weight of 364.47 g/mol. Its IUPAC name is [(3aS,6aR)-3a-fluoro-6a-(hydroxymethyl)-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(3aS,6aR)-3a-fluoro-6a-(hydroxymethyl)-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
PubChem CID166296580
Molecular FormulaC19H29FN4O2
Molecular Weight364.47 g/mol
Exact Mass364.23
IUPAC Name[(3aS,6aR)-3a-fluoro-6a-(hydroxymethyl)-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
SMILESO=C(c1cnn(CCN2CCCCC2)c1)N1C[C@]2(F)CCC[C@]2(CO)C1
InChIInChI=1S/C19H29FN4O2/c20-19-6-4-5-18(19,15-25)13-23(14-19)17(26)16-11-21-24(12-16)10-9-22-7-2-1-3-8-22/h11-12,25H,1-10,13-15H2/t18-,19-/m1/s1
InChIKeyYRLTUAHGNYDTNV-RTBURBONSA-N
XLogP1.70
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3aS,6aR)-3a-fluoro-6a-(hydroxymethyl)-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone with MolForge

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Related Compounds

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
CID 84586642
ethyl 1-(2-piperidin-1-ylethyl)pyrazole-4-carboxylate
CID 79003972
oxalic acid;1-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine
CID 67459493
[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 45195130
1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpiperidine-3-carboxylic acid
CID 65068621
1-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 170994978
3-(4-chloropyrazol-1-yl)-1-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]propan-1-one
CID 97147113
1-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 97153059
1-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylazepan-4-ol
CID 107403897
7-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carbonyl]-2,7-diazaspiro[3.4]octane-2-carbaldehyde
CID 170758635
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113294452
(1-ethylpyrazol-4-yl)-[3-(hydroxymethyl)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 156603563

Frequently Asked Questions

What is the IUPAC name of [(3aS,6aR)-3a-fluoro-6a-(hydroxymethyl)-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone?
The IUPAC name of [(3aS,6aR)-3a-fluoro-6a-(hydroxymethyl)-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone (CID 166296580) is [(3aS,6aR)-3a-fluoro-6a-(hydroxymethyl)-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [(3aS,6aR)-3a-fluoro-6a-(hydroxymethyl)-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone?
The canonical SMILES for [(3aS,6aR)-3a-fluoro-6a-(hydroxymethyl)-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone is O=C(c1cnn(CCN2CCCCC2)c1)N1C[C@]2(F)CCC[C@]2(CO)C1.
What is the InChIKey of [(3aS,6aR)-3a-fluoro-6a-(hydroxymethyl)-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone?
The InChIKey is YRLTUAHGNYDTNV-RTBURBONSA-N. The full InChI is InChI=1S/C19H29FN4O2/c20-19-6-4-5-18(19,15-25)13-23(14-19)17(26)16-11-21-24(12-16)10-9-22-7-2-1-3-8-22/h11-12,25H,1-10,13-15H2/t18-,19-/m1/s1.
What are the key properties of [(3aS,6aR)-3a-fluoro-6a-(hydroxymethyl)-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone?
[(3aS,6aR)-3a-fluoro-6a-(hydroxymethyl)-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone has a molecular weight of 364.47 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-3a-fluoro-6a-(hydroxymethyl)-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 166296580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).