4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole;dihydrochloride

C10H19Cl2N3O — CID 122155814

IUPAC4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole;dihydrochloride
SMILESCOC[C@@H]1CNC[C@H]1c1cnn(C)c1.Cl.Cl
InChIInChI=1S/C10H17N3O.2ClH/c1-13-6-8(4-12-13)10-5-11-3-9(10)7-14-2;;/h4,6,9-11H,3,5,7H2,1-2H3;2*1H/t9-,10-;;/m0../s1
InChIKeyQSQCFGKBMOHXMH-BZDVOYDHSA-N
MW268.19 g/mol
LogP1.21
Rot. Bonds3

About 4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole;dihydrochloride

4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole;dihydrochloride (PubChem CID 122155814) has the molecular formula C10H19Cl2N3O and a molecular weight of 268.19 g/mol. Its IUPAC name is 4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole;dihydrochloride.

Molecular Properties

Compound Name4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole;dihydrochloride
PubChem CID122155814
Molecular FormulaC10H19Cl2N3O
Molecular Weight268.19 g/mol
Exact Mass267.09
IUPAC Name4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole;dihydrochloride
SMILESCOC[C@@H]1CNC[C@H]1c1cnn(C)c1.Cl.Cl
InChIInChI=1S/C10H17N3O.2ClH/c1-13-6-8(4-12-13)10-5-11-3-9(10)7-14-2;;/h4,6,9-11H,3,5,7H2,1-2H3;2*1H/t9-,10-;;/m0../s1
InChIKeyQSQCFGKBMOHXMH-BZDVOYDHSA-N
XLogP1.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole;dihydrochloride?
The IUPAC name of 4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole;dihydrochloride (CID 122155814) is 4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole;dihydrochloride.
What is the SMILES notation for 4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole;dihydrochloride?
The canonical SMILES for 4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole;dihydrochloride is COC[C@@H]1CNC[C@H]1c1cnn(C)c1.Cl.Cl.
What is the InChIKey of 4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole;dihydrochloride?
The InChIKey is QSQCFGKBMOHXMH-BZDVOYDHSA-N. The full InChI is InChI=1S/C10H17N3O.2ClH/c1-13-6-8(4-12-13)10-5-11-3-9(10)7-14-2;;/h4,6,9-11H,3,5,7H2,1-2H3;2*1H/t9-,10-;;/m0../s1.
What are the key properties of 4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole;dihydrochloride?
4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole;dihydrochloride has a molecular weight of 268.19 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole;dihydrochloride is sourced from PubChem (CID 122155814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).