5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole

C10H15BrN2 — CID 103018381

IUPAC5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole
SMILESCn1nccc1CCC1(CBr)CC1
InChIInChI=1S/C10H15BrN2/c1-13-9(3-7-12-13)2-4-10(8-11)5-6-10/h3,7H,2,4-6,8H2,1H3
InChIKeyBNRVFSNZYNPWMW-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.53
Rot. Bonds4

About 5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole

5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole (PubChem CID 103018381) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole
PubChem CID103018381
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole
SMILESCn1nccc1CCC1(CBr)CC1
InChIInChI=1S/C10H15BrN2/c1-13-9(3-7-12-13)2-4-10(8-11)5-6-10/h3,7H,2,4-6,8H2,1H3
InChIKeyBNRVFSNZYNPWMW-UHFFFAOYSA-N
XLogP2.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.53
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

N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine
CID 103014617
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 103014466
N-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
CID 103014764
N-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine
CID 103014575
2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103006430
5-(bromomethyl)-1-methylpyrazole
CID 59589503
1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid
CID 103005051
5-[2-[3-(4-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
CID 103019187
5-[4-bromo-3-(bromomethyl)butyl]-1-methylpyrazole
CID 103019011
2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103005724
1-bromo-7-(2-methylpyrazol-3-yl)heptan-4-one
CID 106798885
3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103005702

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole?
The IUPAC name of 5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole (CID 103018381) is 5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole.
What is the SMILES notation for 5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole?
The canonical SMILES for 5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole is Cn1nccc1CCC1(CBr)CC1.
What is the InChIKey of 5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole?
The InChIKey is BNRVFSNZYNPWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-13-9(3-7-12-13)2-4-10(8-11)5-6-10/h3,7H,2,4-6,8H2,1H3.
What are the key properties of 5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole?
5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole has a molecular weight of 243.15 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole is sourced from PubChem (CID 103018381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).