4-(cyclopropylmethoxy)-1,3,5-trimethylpyrazole

C10H16N2O — CID 130616608

IUPAC4-(cyclopropylmethoxy)-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1OCC1CC1
InChIInChI=1S/C10H16N2O/c1-7-10(8(2)12(3)11-7)13-6-9-4-5-9/h9H,4-6H2,1-3H3
InChIKeyKNFGVRXPUSDQQF-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.83
Rot. Bonds3

About 4-(cyclopropylmethoxy)-1,3,5-trimethylpyrazole

4-(cyclopropylmethoxy)-1,3,5-trimethylpyrazole (PubChem CID 130616608) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-1,3,5-trimethylpyrazole
PubChem CID130616608
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-(cyclopropylmethoxy)-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1OCC1CC1
InChIInChI=1S/C10H16N2O/c1-7-10(8(2)12(3)11-7)13-6-9-4-5-9/h9H,4-6H2,1-3H3
InChIKeyKNFGVRXPUSDQQF-UHFFFAOYSA-N
XLogP1.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclopropylmethoxy)-1,3-dimethylpyrazol-4-amine
CID 43554459
4-cyclopropyl-3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole
CID 97127132
(2R)-1-(1,3,5-trimethylpyrazol-4-yl)oxypropan-2-ol
CID 106933152
3-cyclobutyl-4-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole
CID 126766085
N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 103782851
1-[(3S)-3-aminopiperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone
CID 124594068
5-(cyclopropylmethoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76951956
1-(3-aminopiperidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone;hydrochloride
CID 119380697
N-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119537028
3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2-oxazole
CID 71971325
N-methyl-N-[(3R)-pyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 124613834
3-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,5-dimethylpyrazole
CID 91645046

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-1,3,5-trimethylpyrazole?
The IUPAC name of 4-(cyclopropylmethoxy)-1,3,5-trimethylpyrazole (CID 130616608) is 4-(cyclopropylmethoxy)-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-(cyclopropylmethoxy)-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-(cyclopropylmethoxy)-1,3,5-trimethylpyrazole is Cc1nn(C)c(C)c1OCC1CC1.
What is the InChIKey of 4-(cyclopropylmethoxy)-1,3,5-trimethylpyrazole?
The InChIKey is KNFGVRXPUSDQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-10(8(2)12(3)11-7)13-6-9-4-5-9/h9H,4-6H2,1-3H3.
What are the key properties of 4-(cyclopropylmethoxy)-1,3,5-trimethylpyrazole?
4-(cyclopropylmethoxy)-1,3,5-trimethylpyrazole has a molecular weight of 180.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-1,3,5-trimethylpyrazole is sourced from PubChem (CID 130616608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).