4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole

C14H25N3O — CID 77089640

IUPAC4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole
SMILESCCCn1ncc(CN2CCC(COC)C2)c1C
InChIInChI=1S/C14H25N3O/c1-4-6-17-12(2)14(8-15-17)10-16-7-5-13(9-16)11-18-3/h8,13H,4-7,9-11H2,1-3H3
InChIKeyKEUNXLYYOAWOCY-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.07
Rot. Bonds6

About 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole

4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole (PubChem CID 77089640) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole.

Molecular Properties

Compound Name4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole
PubChem CID77089640
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole
SMILESCCCn1ncc(CN2CCC(COC)C2)c1C
InChIInChI=1S/C14H25N3O/c1-4-6-17-12(2)14(8-15-17)10-16-7-5-13(9-16)11-18-3/h8,13H,4-7,9-11H2,1-3H3
InChIKeyKEUNXLYYOAWOCY-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole with MolForge

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Related Compounds

(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 110203563
3-(hydroxymethyl)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 77089974
4-{[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl}-5-methyl-1-propyl-1H-pyrazole
CID 77093123
1-(methoxymethyl)-N-methyl-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]cyclopropanamine
CID 77094245
trans-4-ethoxy-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 91794079
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine
CID 119051602
1-(1-allyl-5-methyl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 131914942
Ethane;4-methyl-1-(oxolan-3-yl)-3-(trifluoromethyl)pyrazole
CID 145361103
4-Methyl-1-(oxolan-3-yl)-3-(trifluoromethyl)pyrazole
CID 145361104
5-(Difluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole
CID 166473857
3-(Fluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole
CID 166474204
1-(2-Fluoroethyl)-4-(methoxymethyl)-5-methylpyrazole
CID 178823039

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole?
The IUPAC name of 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole (CID 77089640) is 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole.
What is the SMILES notation for 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole?
The canonical SMILES for 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole is CCCn1ncc(CN2CCC(COC)C2)c1C.
What is the InChIKey of 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole?
The InChIKey is KEUNXLYYOAWOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-6-17-12(2)14(8-15-17)10-16-7-5-13(9-16)11-18-3/h8,13H,4-7,9-11H2,1-3H3.
What are the key properties of 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole?
4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole has a molecular weight of 251.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole is sourced from PubChem (CID 77089640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).