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

C9H16N2O — CID 19382661

IUPAC4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole
SMILESCOCCCc1c(C)n[nH]c1C
InChIInChI=1S/C9H16N2O/c1-7-9(5-4-6-12-3)8(2)11-10-7/h4-6H2,1-3H3,(H,10,11)
InChIKeyKJNWQDOCYXXYGN-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.61
Rot. Bonds4

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

4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole (PubChem CID 19382661) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole
PubChem CID19382661
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole
SMILESCOCCCc1c(C)n[nH]c1C
InChIInChI=1S/C9H16N2O/c1-7-9(5-4-6-12-3)8(2)11-10-7/h4-6H2,1-3H3,(H,10,11)
InChIKeyKJNWQDOCYXXYGN-UHFFFAOYSA-N
XLogP1.61
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
CID 1934835
ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
CID 3410253
3,5-Diethyl-4-methylpyrazole
CID 139517
3-(3, 5-dimethyl-1H-pyrazol-4-yl) propan-1-ol
CID 105430140
4-(2-ethoxyethyl)-3,5-dimethyl-1H-pyrazole
CID 3253320
3-ethyl-4,5-dimethyl-1H-pyrazole
CID 2753139
Pyrazole, 4-ethyl-3,5-dipropyl-
CID 586388
methyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
CID 49657954
3,5-Diisopropyl-4-methyl-1h-pyrazole
CID 129765528
3,5-Dimethyl-4-(2-methoxyethyl)-1H-pyrazole
CID 3253096
3,5-Dimethyl-4-propyl-1H-pyrazole
CID 12933275
methyl 3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)propanimidate
CID 121213235

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole (CID 19382661) is 4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole is COCCCc1c(C)n[nH]c1C.
What is the InChIKey of 4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole?
The InChIKey is KJNWQDOCYXXYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7-9(5-4-6-12-3)8(2)11-10-7/h4-6H2,1-3H3,(H,10,11).
What are the key properties of 4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole?
4-(3-methoxypropyl)-3,5-dimethyl-1H-pyrazole has a molecular weight of 168.24 g/mol, XLogP of 1.61, 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 is sourced from PubChem (CID 19382661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).