N-ethyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride

C15H27Cl2N5O — CID 154924831

IUPACN-ethyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride
SMILESCCN(C(C)=O)C1CCN(Cc2cc3n(n2)CCNC3)C1.Cl.Cl
InChIInChI=1S/C15H25N5O.2ClH/c1-3-19(12(2)21)14-4-6-18(11-14)10-13-8-15-9-16-5-7-20(15)17-13;;/h8,14,16H,3-7,9-11H2,1-2H3;2*1H
InChIKeyYGXCPNGFIRCHKJ-UHFFFAOYSA-N
MW364.32 g/mol
LogP1.27
Rot. Bonds4

About N-ethyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride

N-ethyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride (PubChem CID 154924831) has the molecular formula C15H27Cl2N5O and a molecular weight of 364.32 g/mol. Its IUPAC name is N-ethyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-ethyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride
PubChem CID154924831
Molecular FormulaC15H27Cl2N5O
Molecular Weight364.32 g/mol
Exact Mass363.16
IUPAC NameN-ethyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride
SMILESCCN(C(C)=O)C1CCN(Cc2cc3n(n2)CCNC3)C1.Cl.Cl
InChIInChI=1S/C15H25N5O.2ClH/c1-3-19(12(2)21)14-4-6-18(11-14)10-13-8-15-9-16-5-7-20(15)17-13;;/h8,14,16H,3-7,9-11H2,1-2H3;2*1H
InChIKeyYGXCPNGFIRCHKJ-UHFFFAOYSA-N
XLogP1.27
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N,N-dimethyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrrolidin-3-amine
CID 95720235
N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 56908090
2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 83694497
2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56886042
[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-3-yl]-thiophen-2-ylmethanone;dihydrochloride
CID 154892679
(1S,5R)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,9-diazabicyclo[3.3.2]decan-10-one
CID 71692401
2-[[(3R)-3-(propoxymethyl)pyrrolidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 95715815
N-ethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine
CID 129415771
N-[[8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 56886293
(2R)-2-(pyrrolidin-1-ylmethyl)-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,4-oxazepane
CID 95728509
2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;dihydrochloride
CID 154893661
2-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]ethanol
CID 129415825

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride?
The IUPAC name of N-ethyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride (CID 154924831) is N-ethyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-ethyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride?
The canonical SMILES for N-ethyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride is CCN(C(C)=O)C1CCN(Cc2cc3n(n2)CCNC3)C1.Cl.Cl.
What is the InChIKey of N-ethyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride?
The InChIKey is YGXCPNGFIRCHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O.2ClH/c1-3-19(12(2)21)14-4-6-18(11-14)10-13-8-15-9-16-5-7-20(15)17-13;;/h8,14,16H,3-7,9-11H2,1-2H3;2*1H.
What are the key properties of N-ethyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride?
N-ethyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride has a molecular weight of 364.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride is sourced from PubChem (CID 154924831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).