4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole

C14H25N3O — CID 77093123

IUPAC4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole
SMILESCCCn1ncc(CN2CCC[C@H]2COC)c1C
InChIInChI=1S/C14H25N3O/c1-4-7-17-12(2)13(9-15-17)10-16-8-5-6-14(16)11-18-3/h9,14H,4-8,10-11H2,1-3H3/t14-/m0/s1
InChIKeyWJGLYCSLZBMJOO-AWEZNQCLSA-N
MW251.37 g/mol
LogP2.21
Rot. Bonds6

About 4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole

4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole (PubChem CID 77093123) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole.

Molecular Properties

Compound Name4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole
PubChem CID77093123
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole
SMILESCCCn1ncc(CN2CCC[C@H]2COC)c1C
InChIInChI=1S/C14H25N3O/c1-4-7-17-12(2)13(9-15-17)10-16-8-5-6-14(16)11-18-3/h9,14H,4-8,10-11H2,1-3H3/t14-/m0/s1
InChIKeyWJGLYCSLZBMJOO-AWEZNQCLSA-N
XLogP2.21
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole?
The IUPAC name of 4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole (CID 77093123) is 4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole.
What is the SMILES notation for 4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole?
The canonical SMILES for 4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole is CCCn1ncc(CN2CCC[C@H]2COC)c1C.
What is the InChIKey of 4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole?
The InChIKey is WJGLYCSLZBMJOO-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-7-17-12(2)13(9-15-17)10-16-8-5-6-14(16)11-18-3/h9,14H,4-8,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of 4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole?
4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole has a molecular weight of 251.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole is sourced from PubChem (CID 77093123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).