[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone

C16H25N5O2 — CID 50951867

IUPAC[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
SMILESO=C(c1cc2n(n1)CCNC2)N1C[C@H](O)[C@@H](N2CCCCC2)C1
InChIInChI=1S/C16H25N5O2/c22-15-11-20(10-14(15)19-5-2-1-3-6-19)16(23)13-8-12-9-17-4-7-21(12)18-13/h8,14-15,17,22H,1-7,9-11H2/t14-,15-/m0/s1
InChIKeyMBDKBGAFSGVFIE-GJZGRUSLSA-N
MW319.41 g/mol
LogP-0.34
Rot. Bonds2

About [(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone

[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone (PubChem CID 50951867) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is [(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
PubChem CID50951867
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
SMILESO=C(c1cc2n(n1)CCNC2)N1C[C@H](O)[C@@H](N2CCCCC2)C1
InChIInChI=1S/C16H25N5O2/c22-15-11-20(10-14(15)19-5-2-1-3-6-19)16(23)13-8-12-9-17-4-7-21(12)18-13/h8,14-15,17,22H,1-7,9-11H2/t14-,15-/m0/s1
InChIKeyMBDKBGAFSGVFIE-GJZGRUSLSA-N
XLogP-0.34
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dihydroisoindol-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
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[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 110108164
(3-chloro-4-hydroxyphenyl)-[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 91837144
[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 73439865
[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone;hydrochloride
CID 154889232
[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone
CID 91797211
[4-(3-hydroxy-3-methylbutyl)phenyl]-[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 56908896
[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
CID 50978913
N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 164534309
[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 135120214
N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide;sulfane
CID 171650641
(3-cyclopropyl-1-ethylpyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone?
The IUPAC name of [(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone (CID 50951867) is [(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone.
What is the SMILES notation for [(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone?
The canonical SMILES for [(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone is O=C(c1cc2n(n1)CCNC2)N1C[C@H](O)[C@@H](N2CCCCC2)C1.
What is the InChIKey of [(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone?
The InChIKey is MBDKBGAFSGVFIE-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H25N5O2/c22-15-11-20(10-14(15)19-5-2-1-3-6-19)16(23)13-8-12-9-17-4-7-21(12)18-13/h8,14-15,17,22H,1-7,9-11H2/t14-,15-/m0/s1.
What are the key properties of [(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone?
[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone has a molecular weight of 319.41 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 50951867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).