2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C13H22N4O — CID 77081126

IUPAC2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCOC[C@@H]1CCCN1Cc1cc2n(n1)CCNC2
InChIInChI=1S/C13H22N4O/c1-18-10-12-3-2-5-16(12)9-11-7-13-8-14-4-6-17(13)15-11/h7,12,14H,2-6,8-10H2,1H3/t12-/m0/s1
InChIKeyRVEDYGQUUASQHG-LBPRGKRZSA-N
MW250.35 g/mol
LogP0.60
Rot. Bonds4

About 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 77081126) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID77081126
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCOC[C@@H]1CCCN1Cc1cc2n(n1)CCNC2
InChIInChI=1S/C13H22N4O/c1-18-10-12-3-2-5-16(12)9-11-7-13-8-14-4-6-17(13)15-11/h7,12,14H,2-6,8-10H2,1H3/t12-/m0/s1
InChIKeyRVEDYGQUUASQHG-LBPRGKRZSA-N
XLogP0.60
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(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
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
(2R)-2-(pyrrolidin-1-ylmethyl)-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,4-oxazepane
CID 95728509
2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 56888635
2-[[(4R)-4-phenylazepan-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 95719438
(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139
2-[[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 95714982
2-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 13397234
2-[1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 95897586
(2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine
CID 134386635
2-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 77081126) is 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is COC[C@@H]1CCCN1Cc1cc2n(n1)CCNC2.
What is the InChIKey of 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is RVEDYGQUUASQHG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N4O/c1-18-10-12-3-2-5-16(12)9-11-7-13-8-14-4-6-17(13)15-11/h7,12,14H,2-6,8-10H2,1H3/t12-/m0/s1.
What are the key properties of 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 250.35 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 77081126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).