4-(cyclopropylmethoxymethoxy)-1-methylpyrazole

C9H14N2O2 — CID 106931222

IUPAC4-(cyclopropylmethoxymethoxy)-1-methylpyrazole
SMILESCn1cc(OCOCC2CC2)cn1
InChIInChI=1S/C9H14N2O2/c1-11-5-9(4-10-11)13-7-12-6-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3
InChIKeyVDRHUOFLCIXFBL-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.18
Rot. Bonds5

About 4-(cyclopropylmethoxymethoxy)-1-methylpyrazole

4-(cyclopropylmethoxymethoxy)-1-methylpyrazole (PubChem CID 106931222) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(cyclopropylmethoxymethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name4-(cyclopropylmethoxymethoxy)-1-methylpyrazole
PubChem CID106931222
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-(cyclopropylmethoxymethoxy)-1-methylpyrazole
SMILESCn1cc(OCOCC2CC2)cn1
InChIInChI=1S/C9H14N2O2/c1-11-5-9(4-10-11)13-7-12-6-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3
InChIKeyVDRHUOFLCIXFBL-UHFFFAOYSA-N
XLogP1.18
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine
CID 114608454
N-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)oxyacetamide
CID 116794202
1-methyl-4-(2-phenoxyethoxy)pyrazole
CID 115753034
1-methyl-4-(oxolan-2-ylmethoxy)pyrazole
CID 116794075
3-[(1-methylpyrazol-4-yl)oxymethyl]thiane 1,1-dioxide
CID 117233469
1-chloro-4-(cyclopropylmethoxymethoxy)benzene
CID 106931199
1-methyl-4-(oxan-2-ylmethoxy)pyrazole
CID 116793926
1-cyclopentyl-3-(1-methylpyrazol-4-yl)oxypropan-2-ol
CID 103160725
1-methyl-4-(2-propoxyethoxy)pyrazole
CID 106458442
N-[2-(1-methylpyrazol-4-yl)oxyethyl]cyclopentanamine
CID 116793724
4-[(E)-4-chlorobut-2-enoxy]-1-methylpyrazole
CID 116792629
3-(cyclopropylmethoxymethoxy)aniline
CID 106928946

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxymethoxy)-1-methylpyrazole?
The IUPAC name of 4-(cyclopropylmethoxymethoxy)-1-methylpyrazole (CID 106931222) is 4-(cyclopropylmethoxymethoxy)-1-methylpyrazole.
What is the SMILES notation for 4-(cyclopropylmethoxymethoxy)-1-methylpyrazole?
The canonical SMILES for 4-(cyclopropylmethoxymethoxy)-1-methylpyrazole is Cn1cc(OCOCC2CC2)cn1.
What is the InChIKey of 4-(cyclopropylmethoxymethoxy)-1-methylpyrazole?
The InChIKey is VDRHUOFLCIXFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-11-5-9(4-10-11)13-7-12-6-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 4-(cyclopropylmethoxymethoxy)-1-methylpyrazole?
4-(cyclopropylmethoxymethoxy)-1-methylpyrazole has a molecular weight of 182.22 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxymethoxy)-1-methylpyrazole is sourced from PubChem (CID 106931222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).