[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride

C13H22Cl2N4O2 — CID 119881027

IUPAC[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCNC1)N1CCOC(Cn2cccn2)C1
InChIInChI=1S/C13H20N4O2.2ClH/c18-13(11-2-4-14-8-11)16-6-7-19-12(9-16)10-17-5-1-3-15-17;;/h1,3,5,11-12,14H,2,4,6-10H2;2*1H
InChIKeyLTENOJJEOZRTLD-UHFFFAOYSA-N
MW337.25 g/mol
LogP0.56
Rot. Bonds3

About [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride

[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride (PubChem CID 119881027) has the molecular formula C13H22Cl2N4O2 and a molecular weight of 337.25 g/mol. Its IUPAC name is [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
PubChem CID119881027
Molecular FormulaC13H22Cl2N4O2
Molecular Weight337.25 g/mol
Exact Mass336.11
IUPAC Name[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCNC1)N1CCOC(Cn2cccn2)C1
InChIInChI=1S/C13H20N4O2.2ClH/c18-13(11-2-4-14-8-11)16-6-7-19-12(9-16)10-17-5-1-3-15-17;;/h1,3,5,11-12,14H,2,4,6-10H2;2*1H
InChIKeyLTENOJJEOZRTLD-UHFFFAOYSA-N
XLogP0.56
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-2-yl-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride
CID 119881019
[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119881013
3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 119880994
(2R)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 119880996
(2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 119881008
(3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride
CID 119881009
2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 81134829
4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122021186
(2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide
CID 129379201
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 126446370
2-(3,4-difluorophenoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone
CID 138026114
[(2S)-2-(2-fluorophenyl)morpholin-4-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 124699072

Frequently Asked Questions

What is the IUPAC name of [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride?
The IUPAC name of [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride (CID 119881027) is [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride.
What is the SMILES notation for [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride?
The canonical SMILES for [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride is Cl.Cl.O=C(C1CCNC1)N1CCOC(Cn2cccn2)C1.
What is the InChIKey of [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride?
The InChIKey is LTENOJJEOZRTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2.2ClH/c18-13(11-2-4-14-8-11)16-6-7-19-12(9-16)10-17-5-1-3-15-17;;/h1,3,5,11-12,14H,2,4,6-10H2;2*1H.
What are the key properties of [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride?
[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride has a molecular weight of 337.25 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride is sourced from PubChem (CID 119881027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).