4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole

C10H15BrN2 — CID 63358314

IUPAC4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
SMILESCn1cc(CCC(Br)C2CC2)cn1
InChIInChI=1S/C10H15BrN2/c1-13-7-8(6-12-13)2-5-10(11)9-3-4-9/h6-7,9-10H,2-5H2,1H3
InChIKeyHWHOWLFVMQEYIO-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.53
Rot. Bonds4

About 4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole

4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole (PubChem CID 63358314) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
PubChem CID63358314
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
SMILESCn1cc(CCC(Br)C2CC2)cn1
InChIInChI=1S/C10H15BrN2/c1-13-7-8(6-12-13)2-5-10(11)9-3-4-9/h6-7,9-10H,2-5H2,1H3
InChIKeyHWHOWLFVMQEYIO-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'}

Analyze 4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole 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-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389
N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine
CID 103010653
1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103455845
1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008567
2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001567
1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103027790
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008489
4-[1-fluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine
CID 103023162
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027909
1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103011602

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole?
The IUPAC name of 4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole (CID 63358314) is 4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole.
What is the SMILES notation for 4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole?
The canonical SMILES for 4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole is Cn1cc(CCC(Br)C2CC2)cn1.
What is the InChIKey of 4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole?
The InChIKey is HWHOWLFVMQEYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-13-7-8(6-12-13)2-5-10(11)9-3-4-9/h6-7,9-10H,2-5H2,1H3.
What are the key properties of 4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole?
4-(3-bromo-3-cyclopropylpropyl)-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 4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole is sourced from PubChem (CID 63358314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).