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

C10H17N3O — CID 122155815

IUPAC4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole
SMILESCOC[C@@H]1CNC[C@H]1c1cnn(C)c1
InChIInChI=1S/C10H17N3O/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/t9-,10-/m0/s1
InChIKeyIWRQPAYJOAVNLV-UWVGGRQHSA-N
MW195.27 g/mol
LogP0.37
Rot. Bonds3

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

4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole (PubChem CID 122155815) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole
PubChem CID122155815
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole
SMILESCOC[C@@H]1CNC[C@H]1c1cnn(C)c1
InChIInChI=1S/C10H17N3O/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/t9-,10-/m0/s1
InChIKeyIWRQPAYJOAVNLV-UWVGGRQHSA-N
XLogP0.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.37
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?
The IUPAC name of 4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole (CID 122155815) is 4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole.
What is the SMILES notation for 4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole?
The canonical SMILES for 4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole is COC[C@@H]1CNC[C@H]1c1cnn(C)c1.
What is the InChIKey of 4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole?
The InChIKey is IWRQPAYJOAVNLV-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H17N3O/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/t9-,10-/m0/s1.
What are the key properties of 4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole?
4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methylpyrazole has a molecular weight of 195.27 g/mol, XLogP of 0.37, 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 is sourced from PubChem (CID 122155815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).