4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole

C10H15ClN2 — CID 103573688

IUPAC4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole
SMILESCCCn1cc(C2CC2CCl)cn1
InChIInChI=1S/C10H15ClN2/c1-2-3-13-7-9(6-12-13)10-4-8(10)5-11/h6-8,10H,2-5H2,1H3
InChIKeyKQRMUFSDLXWGIX-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.64
Rot. Bonds4

About 4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole

4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole (PubChem CID 103573688) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole.

Molecular Properties

Compound Name4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole
PubChem CID103573688
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole
SMILESCCCn1cc(C2CC2CCl)cn1
InChIInChI=1S/C10H15ClN2/c1-2-3-13-7-9(6-12-13)10-4-8(10)5-11/h6-8,10H,2-5H2,1H3
InChIKeyKQRMUFSDLXWGIX-UHFFFAOYSA-N
XLogP2.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(1-propylpyrazol-4-yl)cyclobutyl]methanamine
CID 81009628
2-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine
CID 64908753
1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine
CID 81031706
2-(1-propylpyrazol-4-yl)cyclobutane-1-carboxylic acid
CID 81008575
N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine
CID 81017644
4-tert-butyl-2-(1-propylpyrazol-4-yl)cyclohexan-1-amine
CID 81014748
[2-(1-ethylpyrazol-4-yl)cyclopropyl]methanol
CID 103571107
N-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine
CID 81029527
N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine
CID 81018130
5-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole
CID 114558308
[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine
CID 81012513
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004042

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole?
The IUPAC name of 4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole (CID 103573688) is 4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole.
What is the SMILES notation for 4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole?
The canonical SMILES for 4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole is CCCn1cc(C2CC2CCl)cn1.
What is the InChIKey of 4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole?
The InChIKey is KQRMUFSDLXWGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-2-3-13-7-9(6-12-13)10-4-8(10)5-11/h6-8,10H,2-5H2,1H3.
What are the key properties of 4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole?
4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole has a molecular weight of 198.70 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole is sourced from PubChem (CID 103573688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).