5-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole

C10H15ClN2 — CID 114558308

IUPAC5-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole
SMILESCCCn1nccc1C1CC1CCl
InChIInChI=1S/C10H15ClN2/c1-2-5-13-10(3-4-12-13)9-6-8(9)7-11/h3-4,8-9H,2,5-7H2,1H3
InChIKeyKUMBJIYFDJQXDC-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.64
Rot. Bonds4

About 5-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole

5-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole (PubChem CID 114558308) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 5-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole.

Molecular Properties

Compound Name5-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole
PubChem CID114558308
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name5-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole
SMILESCCCn1nccc1C1CC1CCl
InChIInChI=1S/C10H15ClN2/c1-2-5-13-10(3-4-12-13)9-6-8(9)7-11/h3-4,8-9H,2,5-7H2,1H3
InChIKeyKUMBJIYFDJQXDC-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-(2-propylpyrazol-3-yl)cyclopropyl]methanol
CID 114558305
5-(3-chloro-2-methylcyclopentyl)-1-propylpyrazole
CID 64909028
4-ethyl-2-(2-propylpyrazol-3-yl)cyclohexan-1-amine
CID 81014822
N-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine
CID 81028153
4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole
CID 103573688
5-methyl-4-(2-propylpyrazol-3-yl)pyrrolidin-2-one
CID 114558095
2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride
CID 165453460
4-propyl-2-(2-propylpyrazol-3-yl)cyclohexane-1-carboxylic acid
CID 81021224
N-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine
CID 81022983
4-methyl-2-(2-propylpyrazol-3-yl)-1,3-thiazolidine
CID 114557246
1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine
CID 114557827
1-methyl-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid
CID 114557617

Frequently Asked Questions

What is the IUPAC name of 5-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole?
The IUPAC name of 5-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole (CID 114558308) is 5-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole.
What is the SMILES notation for 5-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole?
The canonical SMILES for 5-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole is CCCn1nccc1C1CC1CCl.
What is the InChIKey of 5-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole?
The InChIKey is KUMBJIYFDJQXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-2-5-13-10(3-4-12-13)9-6-8(9)7-11/h3-4,8-9H,2,5-7H2,1H3.
What are the key properties of 5-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole?
5-[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 5-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole is sourced from PubChem (CID 114558308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).