4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethyl-1H-pyrazole

C10H14N2O — CID 121273540

IUPAC4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1C1=CCOCC1
InChIInChI=1S/C10H14N2O/c1-7-10(8(2)12-11-7)9-3-5-13-6-4-9/h3H,4-6H2,1-2H3,(H,11,12)
InChIKeyKZEUCPYASKLRJO-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.83
Rot. Bonds1

About 4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethyl-1H-pyrazole

4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethyl-1H-pyrazole (PubChem CID 121273540) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethyl-1H-pyrazole
PubChem CID121273540
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1C1=CCOCC1
InChIInChI=1S/C10H14N2O/c1-7-10(8(2)12-11-7)9-3-5-13-6-4-9/h3H,4-6H2,1-2H3,(H,11,12)
InChIKeyKZEUCPYASKLRJO-UHFFFAOYSA-N
XLogP1.83
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,6-dihydro-2H-pyran-4-yl)-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

4-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-3-phenyl-1H-pyrazole
CID 22037600
ethane;4-(5-methylthiophen-2-yl)-3,6-dihydro-2H-pyran
CID 168899149
methyl 4-amino-3-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrazole-5-carboxylate
CID 167439336
3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one
CID 122652395
5-bromo-3-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1H-1,2,4-triazol-2-ium
CID 157416928
2-bromo-6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)pyridine
CID 139464704
4-(cyclohexen-1-yl)-5-methyl-1H-pyrazol-3-amine
CID 88978561
6-(3,6-dihydro-2H-pyran-4-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
CID 121426233
3-[5-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]oxetan-3-ol
CID 166983245
4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol
CID 162435420
4-(4-chlorophenyl)-3,6-dihydro-2H-pyran
CID 91180131
4-(cyclopropen-1-yl)-5-methyl-1H-pyrazol-3-amine
CID 176900304

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethyl-1H-pyrazole (CID 121273540) is 4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethyl-1H-pyrazole is Cc1n[nH]c(C)c1C1=CCOCC1.
What is the InChIKey of 4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethyl-1H-pyrazole?
The InChIKey is KZEUCPYASKLRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-10(8(2)12-11-7)9-3-5-13-6-4-9/h3H,4-6H2,1-2H3,(H,11,12).
What are the key properties of 4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethyl-1H-pyrazole?
4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethyl-1H-pyrazole has a molecular weight of 178.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 121273540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).