5-methoxy-3-propan-2-yl-4,5-dihydro-1H-pyrazole

C7H14N2O — CID 146392709

IUPAC5-methoxy-3-propan-2-yl-4,5-dihydro-1H-pyrazole
SMILESCOC1CC(C(C)C)=NN1
InChIInChI=1S/C7H14N2O/c1-5(2)6-4-7(10-3)9-8-6/h5,7,9H,4H2,1-3H3
InChIKeyBQUGDZMKWVVJTP-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.96
Rot. Bonds2

About 5-methoxy-3-propan-2-yl-4,5-dihydro-1H-pyrazole

5-methoxy-3-propan-2-yl-4,5-dihydro-1H-pyrazole (PubChem CID 146392709) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-methoxy-3-propan-2-yl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-methoxy-3-propan-2-yl-4,5-dihydro-1H-pyrazole
PubChem CID146392709
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name5-methoxy-3-propan-2-yl-4,5-dihydro-1H-pyrazole
SMILESCOC1CC(C(C)C)=NN1
InChIInChI=1S/C7H14N2O/c1-5(2)6-4-7(10-3)9-8-6/h5,7,9H,4H2,1-3H3
InChIKeyBQUGDZMKWVVJTP-UHFFFAOYSA-N
XLogP0.96
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,3a,4,6,7-Hexahydropyrano[4,3-c]pyrazole
CID 117809960
3-propan-2-yl-4,5-dihydro-1H-pyrazol-5-ol
CID 163683395
7-Methyl-3,3a,4,5-tetrahydro-[1,2]oxazolo[3,4-d]pyridazine
CID 46944911

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-propan-2-yl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-methoxy-3-propan-2-yl-4,5-dihydro-1H-pyrazole (CID 146392709) is 5-methoxy-3-propan-2-yl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-methoxy-3-propan-2-yl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-methoxy-3-propan-2-yl-4,5-dihydro-1H-pyrazole is COC1CC(C(C)C)=NN1.
What is the InChIKey of 5-methoxy-3-propan-2-yl-4,5-dihydro-1H-pyrazole?
The InChIKey is BQUGDZMKWVVJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(2)6-4-7(10-3)9-8-6/h5,7,9H,4H2,1-3H3.
What are the key properties of 5-methoxy-3-propan-2-yl-4,5-dihydro-1H-pyrazole?
5-methoxy-3-propan-2-yl-4,5-dihydro-1H-pyrazole has a molecular weight of 142.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-propan-2-yl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 146392709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).