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

C13H22Cl2N4O2 — CID 119881013

IUPAC[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCCN1)N1CCOC(Cn2cccn2)C1
InChIInChI=1S/C13H20N4O2.2ClH/c18-13(12-3-1-4-14-12)16-7-8-19-11(9-16)10-17-6-2-5-15-17;;/h2,5-6,11-12,14H,1,3-4,7-10H2;2*1H
InChIKeyIVNKXIXCZDKHJX-UHFFFAOYSA-N
MW337.25 g/mol
LogP0.71
Rot. Bonds3

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

[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-2-ylmethanone;dihydrochloride (PubChem CID 119881013) 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-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
PubChem CID119881013
Molecular FormulaC13H22Cl2N4O2
Molecular Weight337.25 g/mol
Exact Mass336.11
IUPAC Name[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCCN1)N1CCOC(Cn2cccn2)C1
InChIInChI=1S/C13H20N4O2.2ClH/c18-13(12-3-1-4-14-12)16-7-8-19-11(9-16)10-17-6-2-5-15-17;;/h2,5-6,11-12,14H,1,3-4,7-10H2;2*1H
InChIKeyIVNKXIXCZDKHJX-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119881027
morpholin-2-yl-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride
CID 119881019
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119880920
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-(oxolan-2-yl)morpholin-4-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119345000
(2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide
CID 129379201
(2-methylmorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride
CID 119698701
4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122021186
[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 155946961

Frequently Asked Questions

What is the IUPAC name of [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-2-ylmethanone;dihydrochloride?
The IUPAC name of [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-2-ylmethanone;dihydrochloride (CID 119881013) is [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-2-ylmethanone;dihydrochloride.
What is the SMILES notation for [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-2-ylmethanone;dihydrochloride?
The canonical SMILES for [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-2-ylmethanone;dihydrochloride is Cl.Cl.O=C(C1CCCN1)N1CCOC(Cn2cccn2)C1.
What is the InChIKey of [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-2-ylmethanone;dihydrochloride?
The InChIKey is IVNKXIXCZDKHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2.2ClH/c18-13(12-3-1-4-14-12)16-7-8-19-11(9-16)10-17-6-2-5-15-17;;/h2,5-6,11-12,14H,1,3-4,7-10H2;2*1H.
What are the key properties of [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-2-ylmethanone;dihydrochloride?
[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-2-ylmethanone;dihydrochloride has a molecular weight of 337.25 g/mol, XLogP of 0.71, 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-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 119881013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).