4-(methoxymethyl)-5-methyl-3-propan-2-yl-1H-pyrazole

C9H16N2O — CID 89087640

IUPAC4-(methoxymethyl)-5-methyl-3-propan-2-yl-1H-pyrazole
SMILESCOCc1c(C(C)C)n[nH]c1C
InChIInChI=1S/C9H16N2O/c1-6(2)9-8(5-12-4)7(3)10-11-9/h6H,5H2,1-4H3,(H,10,11)
InChIKeyKVOOKKRGCQAWJP-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.99
Rot. Bonds3

About 4-(methoxymethyl)-5-methyl-3-propan-2-yl-1H-pyrazole

4-(methoxymethyl)-5-methyl-3-propan-2-yl-1H-pyrazole (PubChem CID 89087640) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-(methoxymethyl)-5-methyl-3-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name4-(methoxymethyl)-5-methyl-3-propan-2-yl-1H-pyrazole
PubChem CID89087640
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-(methoxymethyl)-5-methyl-3-propan-2-yl-1H-pyrazole
SMILESCOCc1c(C(C)C)n[nH]c1C
InChIInChI=1S/C9H16N2O/c1-6(2)9-8(5-12-4)7(3)10-11-9/h6H,5H2,1-4H3,(H,10,11)
InChIKeyKVOOKKRGCQAWJP-UHFFFAOYSA-N
XLogP1.99
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-5-methyl-3-propan-2-yl-1H-pyrazole?
The IUPAC name of 4-(methoxymethyl)-5-methyl-3-propan-2-yl-1H-pyrazole (CID 89087640) is 4-(methoxymethyl)-5-methyl-3-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 4-(methoxymethyl)-5-methyl-3-propan-2-yl-1H-pyrazole?
The canonical SMILES for 4-(methoxymethyl)-5-methyl-3-propan-2-yl-1H-pyrazole is COCc1c(C(C)C)n[nH]c1C.
What is the InChIKey of 4-(methoxymethyl)-5-methyl-3-propan-2-yl-1H-pyrazole?
The InChIKey is KVOOKKRGCQAWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6(2)9-8(5-12-4)7(3)10-11-9/h6H,5H2,1-4H3,(H,10,11).
What are the key properties of 4-(methoxymethyl)-5-methyl-3-propan-2-yl-1H-pyrazole?
4-(methoxymethyl)-5-methyl-3-propan-2-yl-1H-pyrazole has a molecular weight of 168.24 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-5-methyl-3-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 89087640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).