4-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]pyrazole

C10H15ClN2O — CID 65165440

IUPAC4-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]pyrazole
SMILESClCc1cnn(CCC2CCCO2)c1
InChIInChI=1S/C10H15ClN2O/c11-6-9-7-12-13(8-9)4-3-10-2-1-5-14-10/h7-8,10H,1-6H2
InChIKeyNNZYRQVNJJFIHX-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.19
Rot. Bonds4

About 4-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]pyrazole

4-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]pyrazole (PubChem CID 65165440) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]pyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]pyrazole
PubChem CID65165440
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name4-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]pyrazole
SMILESClCc1cnn(CCC2CCCO2)c1
InChIInChI=1S/C10H15ClN2O/c11-6-9-7-12-13(8-9)4-3-10-2-1-5-14-10/h7-8,10H,1-6H2
InChIKeyNNZYRQVNJJFIHX-UHFFFAOYSA-N
XLogP2.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]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

1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole
CID 119034768
1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole
CID 65165120
1-(1-ethylpyrazol-4-yl)-4-(oxolan-2-yl)butan-2-one
CID 114965412
1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one
CID 65164995
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-2-amine
CID 62730979
[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol
CID 65166429
1-(1-methylpyrazol-4-yl)-4-(oxolan-2-yl)butan-2-one
CID 114965269
1-[2-(oxolan-2-yl)ethyl]pyrazol-3-amine
CID 65161520
[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine
CID 65165798
N-methyl-1-[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine
CID 65165187
1-[3-(4-chloropyrazol-1-yl)propyl]-3-(oxolan-2-ylmethyl)thiourea
CID 19573140
1-methyl-N-[2-(oxolan-2-yl)ethyl]pyrazol-4-amine
CID 79770820

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]pyrazole?
The IUPAC name of 4-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]pyrazole (CID 65165440) is 4-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]pyrazole.
What is the SMILES notation for 4-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]pyrazole?
The canonical SMILES for 4-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]pyrazole is ClCc1cnn(CCC2CCCO2)c1.
What is the InChIKey of 4-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]pyrazole?
The InChIKey is NNZYRQVNJJFIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c11-6-9-7-12-13(8-9)4-3-10-2-1-5-14-10/h7-8,10H,1-6H2.
What are the key properties of 4-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]pyrazole?
4-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]pyrazole has a molecular weight of 214.70 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]pyrazole is sourced from PubChem (CID 65165440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).