4-(3-methoxypropyl)-1H-pyrazole

C7H12N2O — CID 90951720

IUPAC4-(3-methoxypropyl)-1H-pyrazole
SMILESCOCCCc1cn[nH]c1
InChIInChI=1S/C7H12N2O/c1-10-4-2-3-7-5-8-9-6-7/h5-6H,2-4H2,1H3,(H,8,9)
InChIKeyBCKWABRWQIHBEW-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.99
Rot. Bonds4

About 4-(3-methoxypropyl)-1H-pyrazole

4-(3-methoxypropyl)-1H-pyrazole (PubChem CID 90951720) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-(3-methoxypropyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(3-methoxypropyl)-1H-pyrazole
PubChem CID90951720
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-(3-methoxypropyl)-1H-pyrazole
SMILESCOCCCc1cn[nH]c1
InChIInChI=1S/C7H12N2O/c1-10-4-2-3-7-5-8-9-6-7/h5-6H,2-4H2,1H3,(H,8,9)
InChIKeyBCKWABRWQIHBEW-UHFFFAOYSA-N
XLogP0.99
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropyl)-1H-pyrazole?
The IUPAC name of 4-(3-methoxypropyl)-1H-pyrazole (CID 90951720) is 4-(3-methoxypropyl)-1H-pyrazole.
What is the SMILES notation for 4-(3-methoxypropyl)-1H-pyrazole?
The canonical SMILES for 4-(3-methoxypropyl)-1H-pyrazole is COCCCc1cn[nH]c1.
What is the InChIKey of 4-(3-methoxypropyl)-1H-pyrazole?
The InChIKey is BCKWABRWQIHBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-10-4-2-3-7-5-8-9-6-7/h5-6H,2-4H2,1H3,(H,8,9).
What are the key properties of 4-(3-methoxypropyl)-1H-pyrazole?
4-(3-methoxypropyl)-1H-pyrazole has a molecular weight of 140.19 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)-1H-pyrazole is sourced from PubChem (CID 90951720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).