4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole;hydrochloride

C9H17ClN2O — CID 19382660

IUPAC4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole;hydrochloride
SMILESCOCCCc1c(C)n[nH]c1C.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-7-9(5-4-6-12-3)8(2)11-10-7;/h4-6H2,1-3H3,(H,10,11);1H
InChIKeyDPYACVIAPUAMEA-UHFFFAOYSA-N
MW204.70 g/mol
LogP2.03
Rot. Bonds4

About 4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole;hydrochloride

4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole;hydrochloride (PubChem CID 19382660) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is 4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole;hydrochloride
PubChem CID19382660
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole;hydrochloride
SMILESCOCCCc1c(C)n[nH]c1C.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-7-9(5-4-6-12-3)8(2)11-10-7;/h4-6H2,1-3H3,(H,10,11);1H
InChIKeyDPYACVIAPUAMEA-UHFFFAOYSA-N
XLogP2.03
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 52.03
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)-3,5-dimethyl-1H-pyrazole;hydrochloride?
The IUPAC name of 4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole;hydrochloride (CID 19382660) is 4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole;hydrochloride.
What is the SMILES notation for 4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole;hydrochloride?
The canonical SMILES for 4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole;hydrochloride is COCCCc1c(C)n[nH]c1C.Cl.
What is the InChIKey of 4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole;hydrochloride?
The InChIKey is DPYACVIAPUAMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c1-7-9(5-4-6-12-3)8(2)11-10-7;/h4-6H2,1-3H3,(H,10,11);1H.
What are the key properties of 4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole;hydrochloride?
4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole;hydrochloride is sourced from PubChem (CID 19382660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).