3-methyl-1-(pyrrolidin-1-ylmethoxymethyl)pyrazole

C10H17N3O — CID 59826792

IUPAC3-methyl-1-(pyrrolidin-1-ylmethoxymethyl)pyrazole
SMILESCc1ccn(COCN2CCCC2)n1
InChIInChI=1S/C10H17N3O/c1-10-4-7-13(11-10)9-14-8-12-5-2-3-6-12/h4,7H,2-3,5-6,8-9H2,1H3
InChIKeyZAXVNFMCPOAPHB-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.22
Rot. Bonds4

About 3-methyl-1-(pyrrolidin-1-ylmethoxymethyl)pyrazole

3-methyl-1-(pyrrolidin-1-ylmethoxymethyl)pyrazole (PubChem CID 59826792) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-methyl-1-(pyrrolidin-1-ylmethoxymethyl)pyrazole.

Molecular Properties

Compound Name3-methyl-1-(pyrrolidin-1-ylmethoxymethyl)pyrazole
PubChem CID59826792
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-methyl-1-(pyrrolidin-1-ylmethoxymethyl)pyrazole
SMILESCc1ccn(COCN2CCCC2)n1
InChIInChI=1S/C10H17N3O/c1-10-4-7-13(11-10)9-14-8-12-5-2-3-6-12/h4,7H,2-3,5-6,8-9H2,1H3
InChIKeyZAXVNFMCPOAPHB-UHFFFAOYSA-N
XLogP1.22
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyrrolidin-1-ylmethoxymethyl)pyrazole?
The IUPAC name of 3-methyl-1-(pyrrolidin-1-ylmethoxymethyl)pyrazole (CID 59826792) is 3-methyl-1-(pyrrolidin-1-ylmethoxymethyl)pyrazole.
What is the SMILES notation for 3-methyl-1-(pyrrolidin-1-ylmethoxymethyl)pyrazole?
The canonical SMILES for 3-methyl-1-(pyrrolidin-1-ylmethoxymethyl)pyrazole is Cc1ccn(COCN2CCCC2)n1.
What is the InChIKey of 3-methyl-1-(pyrrolidin-1-ylmethoxymethyl)pyrazole?
The InChIKey is ZAXVNFMCPOAPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10-4-7-13(11-10)9-14-8-12-5-2-3-6-12/h4,7H,2-3,5-6,8-9H2,1H3.
What are the key properties of 3-methyl-1-(pyrrolidin-1-ylmethoxymethyl)pyrazole?
3-methyl-1-(pyrrolidin-1-ylmethoxymethyl)pyrazole has a molecular weight of 195.27 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyrrolidin-1-ylmethoxymethyl)pyrazole is sourced from PubChem (CID 59826792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).