[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone

C15H20N6O — CID 50978913

IUPAC[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
SMILESO=C(c1cc2n(n1)CCNC2)N1CCCC1Cn1cccn1
InChIInChI=1S/C15H20N6O/c22-15(14-9-13-10-16-5-8-21(13)18-14)20-7-1-3-12(20)11-19-6-2-4-17-19/h2,4,6,9,12,16H,1,3,5,7-8,10-11H2
InChIKeyZZMXSIJJCXRMNU-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.49
Rot. Bonds3

About [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone

[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone (PubChem CID 50978913) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
PubChem CID50978913
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
SMILESO=C(c1cc2n(n1)CCNC2)N1CCCC1Cn1cccn1
InChIInChI=1S/C15H20N6O/c22-15(14-9-13-10-16-5-8-21(13)18-14)20-7-1-3-12(20)11-19-6-2-4-17-19/h2,4,6,9,12,16H,1,3,5,7-8,10-11H2
InChIKeyZZMXSIJJCXRMNU-UHFFFAOYSA-N
XLogP0.49
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dihydro-1H-inden-5-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95323101
1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95343101
(4-chloro-1H-pyrrol-2-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95344276
(3-fluoro-4-pyrazol-1-ylphenyl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95322683
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95346124
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[4-(pyrrol-1-ylmethyl)phenyl]methanone
CID 95323660
(4-imidazol-1-ylphenyl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95324252
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 95603844
[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 95603823
(1-methylpyrazol-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603553
(2-piperidin-1-yl-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603771
(5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602579

Frequently Asked Questions

What is the IUPAC name of [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone?
The IUPAC name of [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone (CID 50978913) is [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone.
What is the SMILES notation for [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone?
The canonical SMILES for [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone is O=C(c1cc2n(n1)CCNC2)N1CCCC1Cn1cccn1.
What is the InChIKey of [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone?
The InChIKey is ZZMXSIJJCXRMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c22-15(14-9-13-10-16-5-8-21(13)18-14)20-7-1-3-12(20)11-19-6-2-4-17-19/h2,4,6,9,12,16H,1,3,5,7-8,10-11H2.
What are the key properties of [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone?
[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone has a molecular weight of 300.37 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 50978913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).